1-[4-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-3-methylsulfanyl-6,7-dihydro-5H-2-benzothiophen-4-one

Systemtic Name: 1-[4-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-3-methylsulfanyl-6,7-dihydro-5H-2-benzothiophen-4-one Openeye Name: 1-[4-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]-3-methylsulfanyl-6,7-dihydro-5H-2-benzothiophen-4-one CAS Name: 1-[4-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-3-(methylthio)-6,7-dihydro-5H-2-benzothiophen-4-one IUPAC Name: 1-[4-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-3-methylsulfanyl-6,7-dihydro-5H-2-benzothiophen-4-one Traditional Name: 1-[4-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]-3-(methylthio)-6,7-dihydro-5H-isobenzothiophen-4-one Formula: C18H17N3O2S3 MolecularWeight: 403.54148

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NNC2=S)C3=C4CCCC(=O)C4=C(S3)SC

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NNC2=S)C3=C4CCCC(=O)C4=C(S3)SC

InChI

InChI=1S/C18H17N3O2S3/c1-23-11-8-6-10(7-9-11)21-16(19-20-18(21)24)15-12-4-3-5-13(22)14(12)17(25-2)26-15/h6-9H,3-5H2,1-2H3,(H,20,24)