4-[4-(2,4-dimethylphenyl)-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[4-(2,4-dimethylphenyl)-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[4-(2,4-dimethylphenyl)-5-thioxo-1,2,4-triazolidin-3-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[4-(2,4-dimethylphenyl)-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[4-(2,4-dimethylphenyl)-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[4-(2,4-dimethylphenyl)-5-thioxo-1,2,4-triazolidin-3-ylidene]cyclohexa-2,5-dien-1-one Formula: C16H15N3OS MolecularWeight: 297.3748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=C3C=CC(=O)C=C3)NNC2=S)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=C3C=CC(=O)C=C3)NNC2=S)C

InChI

InChI=1S/C16H15N3OS/c1-10-3-8-14(11(2)9-10)19-15(17-18-16(19)21)12-4-6-13(20)7-5-12/h3-9,17H,1-2H3,(H,18,21)