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

Systemtic Name: 6-(3-methylthiophen-2-yl)-3-prop-2-enylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Openeye Name: 3-allylsulfanyl-6-(3-methyl-2-thienyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine CAS Name: 6-(3-methyl-2-thiophenyl)-3-(prop-2-enylthio)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine IUPAC Name: 6-(3-methylthiophen-2-yl)-3-prop-2-enylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Traditional Name: 3-(allylthio)-6-(3-methyl-2-thienyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Formula: C18H16N4OS2 MolecularWeight: 368.47584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C2NC3=CC=CC=C3C4=C(O2)N=C(N=N4)SCC=C

Isomeric SMILES

CC1=C(SC=C1)C2NC3=CC=CC=C3C4=C(O2)N=C(N=N4)SCC=C

InChI

InChI=1S/C18H16N4OS2/c1-3-9-25-18-20-16-14(21-22-18)12-6-4-5-7-13(12)19-17(23-16)15-11(2)8-10-24-15/h3-8,10,17,19H,1,9H2,2H3