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

Systemtic Name: 6-[3-(2-oxidanylidenepropylsulfanyl)-4-phenethyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-(3-acetonylsulfanyl-4-phenethyl-1H-1,2,4-triazol-5-ylidene)cyclohexa-2,4-dien-1-one CAS Name: 6-[3-(2-oxopropylthio)-4-phenethyl-1H-1,2,4-triazol-5-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[3-(2-oxopropylsulfanyl)-4-phenethyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: 6-[3-(acetonylthio)-4-phenethyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one Formula: C19H19N3O2S MolecularWeight: 353.43806

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NNC(=C2C=CC=CC2=O)N1CCC3=CC=CC=C3

Isomeric SMILES

CC(=O)CSC1=NNC(=C2C=CC=CC2=O)N1CCC3=CC=CC=C3

InChI

InChI=1S/C19H19N3O2S/c1-14(23)13-25-19-21-20-18(16-9-5-6-10-17(16)24)22(19)12-11-15-7-3-2-4-8-15/h2-10,20H,11-13H2,1H3