6-[3-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[3-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[3-[2-(4-methoxyphenyl)-2-oxo-ethyl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one CAS Name: 6-[3-[[2-(4-methoxyphenyl)-2-oxoethyl]thio]-4-methyl-1H-1,2,4-triazol-5-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[3-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: 6-[3-[[2-keto-2-(4-methoxyphenyl)ethyl]thio]-4-methyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C2C=CC=CC2=O)NN=C1SCC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CN1C(=C2C=CC=CC2=O)NN=C1SCC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C18H17N3O3S/c1-21-17(14-5-3-4-6-15(14)22)19-20-18(21)25-11-16(23)12-7-9-13(24-2)10-8-12/h3-10,19H,11H2,1-2H3