4-[4-methyl-3-[2-(3-oxidanyl-1-benzothiophen-2-yl)-2-oxidanylidene-ethyl]sulfanyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[4-methyl-3-[2-(3-oxidanyl-1-benzothiophen-2-yl)-2-oxidanylidene-ethyl]sulfanyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[3-[2-(3-hydroxybenzothiophen-2-yl)-2-oxo-ethyl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[3-[[2-(3-hydroxy-1-benzothiophen-2-yl)-2-oxoethyl]thio]-4-methyl-1H-1,2,4-triazol-5-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[3-[2-(3-hydroxy-1-benzothiophen-2-yl)-2-oxoethyl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[3-[[2-(3-hydroxybenzothiophen-2-yl)-2-keto-ethyl]thio]-4-methyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Formula: C19H15N3O3S2 MolecularWeight: 397.4707

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C2C=CC(=O)C=C2)NN=C1SCC(=O)C3=C(C4=CC=CC=C4S3)O

Isomeric SMILES

CN1C(=C2C=CC(=O)C=C2)NN=C1SCC(=O)C3=C(C4=CC=CC=C4S3)O

InChI

InChI=1S/C19H15N3O3S2/c1-22-18(11-6-8-12(23)9-7-11)20-21-19(22)26-10-14(24)17-16(25)13-4-2-3-5-15(13)27-17/h2-9,20,25H,10H2,1H3