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

Systemtic Name: 6-[4-methyl-3-(2-oxidanylidenepropylsulfanyl)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-(3-acetonylsulfanyl-4-methyl-1H-1,2,4-triazol-5-ylidene)cyclohexa-2,4-dien-1-one CAS Name: 6-[4-methyl-3-(2-oxopropylthio)-1H-1,2,4-triazol-5-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[4-methyl-3-(2-oxopropylsulfanyl)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: 6-[3-(acetonylthio)-4-methyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one Formula: C12H13N3O2S MolecularWeight: 263.31552

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NNC(=C2C=CC=CC2=O)N1C

Isomeric SMILES

CC(=O)CSC1=NNC(=C2C=CC=CC2=O)N1C

InChI

InChI=1S/C12H13N3O2S/c1-8(16)7-18-12-14-13-11(15(12)2)9-5-3-4-6-10(9)17/h3-6,13H,7H2,1-2H3