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

Systemtic Name: 4-[3-methylsulfanyl-4-(phenylmethyl)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-(4-benzyl-3-methylsulfanyl-1H-1,2,4-triazol-5-ylidene)cyclohexa-2,5-dien-1-one CAS Name: 4-[3-(methylthio)-4-(phenylmethyl)-1H-1,2,4-triazol-5-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-(4-benzyl-3-methylsulfanyl-1H-1,2,4-triazol-5-ylidene)cyclohexa-2,5-dien-1-one Traditional Name: 4-[4-benzyl-3-(methylthio)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Formula: C16H15N3OS MolecularWeight: 297.3748

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NNC(=C2C=CC(=O)C=C2)N1CC3=CC=CC=C3

Isomeric SMILES

CSC1=NNC(=C2C=CC(=O)C=C2)N1CC3=CC=CC=C3

InChI

InChI=1S/C16H15N3OS/c1-21-16-18-17-15(13-7-9-14(20)10-8-13)19(16)11-12-5-3-2-4-6-12/h2-10,17H,11H2,1H3