(6S)-6-(6-methylpyridin-2-yl)-3-prop-2-enylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine

Systemtic Name: (6S)-6-(6-methylpyridin-2-yl)-3-prop-2-enylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Openeye Name: (6S)-3-allylsulfanyl-6-(6-methyl-2-pyridyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine CAS Name: (6S)-6-(6-methyl-2-pyridinyl)-3-(prop-2-enylthio)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine IUPAC Name: (6S)-6-(6-methylpyridin-2-yl)-3-prop-2-enylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Traditional Name: (6S)-3-(allylthio)-6-(6-methyl-2-pyridyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Formula: C19H17N5OS MolecularWeight: 363.43618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=N1)C2NC3=CC=CC=C3C4=C(O2)N=C(N=N4)SCC=C

Isomeric SMILES

CC1=CC=CC(=N1)[C@H]2NC3=CC=CC=C3C4=C(O2)N=C(N=N4)SCC=C

InChI

InChI=1S/C19H17N5OS/c1-3-11-26-19-22-18-16(23-24-19)13-8-4-5-9-14(13)21-17(25-18)15-10-6-7-12(2)20-15/h3-10,17,21H,1,11H2,2H3/t17-/m0/s1