6-(1-methylindol-3-yl)-3-methylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine

Systemtic Name: 6-(1-methylindol-3-yl)-3-methylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Openeye Name: 6-(1-methylindol-3-yl)-3-methylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine CAS Name: 6-(1-methyl-3-indolyl)-3-(methylthio)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine IUPAC Name: 6-(1-methylindol-3-yl)-3-methylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Traditional Name: 6-(1-methylindol-3-yl)-3-(methylthio)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Formula: C20H17N5OS MolecularWeight: 375.44688

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C3NC4=CC=CC=C4C5=C(O3)N=C(N=N5)SC

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C3NC4=CC=CC=C4C5=C(O3)N=C(N=N5)SC

InChI

InChI=1S/C20H17N5OS/c1-25-11-14(12-7-4-6-10-16(12)25)18-21-15-9-5-3-8-13(15)17-19(26-18)22-20(27-2)24-23-17/h3-11,18,21H,1-2H3