6-[3-(2-oxidanylidenepropylsulfanyl)-4-(phenylmethyl)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[3-(2-oxidanylidenepropylsulfanyl)-4-(phenylmethyl)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-(3-acetonylsulfanyl-4-benzyl-1H-1,2,4-triazol-5-ylidene)cyclohexa-2,4-dien-1-one CAS Name: 6-[3-(2-oxopropylthio)-4-(phenylmethyl)-1H-1,2,4-triazol-5-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[4-benzyl-3-(2-oxopropylsulfanyl)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: 6-[3-(acetonylthio)-4-benzyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one Formula: C18H17N3O2S MolecularWeight: 339.41148

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NNC(=C2C=CC=CC2=O)N1CC3=CC=CC=C3

Isomeric SMILES

CC(=O)CSC1=NNC(=C2C=CC=CC2=O)N1CC3=CC=CC=C3

InChI

InChI=1S/C18H17N3O2S/c1-13(22)12-24-18-20-19-17(15-9-5-6-10-16(15)23)21(18)11-14-7-3-2-4-8-14/h2-10,19H,11-12H2,1H3