N-[(1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methyl]-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)ethanamide

Systemtic Name: N-[(1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methyl]-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)ethanamide Openeye Name: N-[(7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methyl]-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide CAS Name: N-[(1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methyl]-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylthio)acetamide IUPAC Name: N-[(1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methyl]-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide Traditional Name: N-[(7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methyl]-2-(5H-[1,2,4]triazin[5,6-b]indol-3-ylthio)acetamide Formula: C31H37N5OS MolecularWeight: 527.72338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)CNC(=O)CSC4=NC5=C(C6=CC=CC=C6N5)N=N4)C

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)CNC(=O)CSC4=NC5=C(C6=CC=CC=C6N5)N=N4)C

InChI

InChI=1S/C31H37N5OS/c1-19(2)20-10-12-23-21(16-20)11-13-25-30(3,14-7-15-31(23,25)4)18-32-26(37)17-38-29-34-28-27(35-36-29)22-8-5-6-9-24(22)33-28/h5-6,8-10,12,16,19,25H,7,11,13-15,17-18H2,1-4H3,(H,32,37)(H,33,34,36)