2-[[5-[(3-chlorophenyl)methyl]-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl]-N-phenethyl-ethanamide

Systemtic Name: 2-[[5-[(3-chlorophenyl)methyl]-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[[5-[(3-chlorophenyl)methyl]-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[[5-[(3-chlorophenyl)methyl]-[1,2,4]triazino[5,6-b]indol-3-yl]thio]-N-phenethylacetamide IUPAC Name: 2-[[5-[(3-chlorophenyl)methyl]-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl]-N-phenethylacetamide Traditional Name: 2-[[5-(3-chlorobenzyl)-[1,2,4]triazin[5,6-b]indol-3-yl]thio]-N-phenethyl-acetamide Formula: C26H22ClN5OS MolecularWeight: 488.00378

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)CSC2=NC3=C(C4=CC=CC=C4N3CC5=CC(=CC=C5)Cl)N=N2

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)CSC2=NC3=C(C4=CC=CC=C4N3CC5=CC(=CC=C5)Cl)N=N2

InChI

InChI=1S/C26H22ClN5OS/c27-20-10-6-9-19(15-20)16-32-22-12-5-4-11-21(22)24-25(32)29-26(31-30-24)34-17-23(33)28-14-13-18-7-2-1-3-8-18/h1-12,15H,13-14,16-17H2,(H,28,33)