6-methyl-3-(phenylmethylsulfanyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine

Systemtic Name: 6-methyl-3-(phenylmethylsulfanyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Openeye Name: 3-benzylsulfanyl-6-methyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine CAS Name: 6-methyl-3-(phenylmethylthio)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine IUPAC Name: 3-benzylsulfanyl-6-methyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Traditional Name: 3-(benzylthio)-6-methyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Formula: C18H16N4OS MolecularWeight: 336.41084

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Descriptors Computed from Structure

Canonical SMILES:

CC1NC2=CC=CC=C2C3=C(O1)N=C(N=N3)SCC4=CC=CC=C4

Isomeric SMILES

CC1NC2=CC=CC=C2C3=C(O1)N=C(N=N3)SCC4=CC=CC=C4

InChI

InChI=1S/C18H16N4OS/c1-12-19-15-10-6-5-9-14(15)16-17(23-12)20-18(22-21-16)24-11-13-7-3-2-4-8-13/h2-10,12,19H,11H2,1H3