6-[4-(2,4-dimethylphenyl)-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[4-(2,4-dimethylphenyl)-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[4-(2,4-dimethylphenyl)-5-thioxo-1,2,4-triazolidin-3-ylidene]cyclohexa-2,4-dien-1-one CAS Name: 6-[4-(2,4-dimethylphenyl)-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[4-(2,4-dimethylphenyl)-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: 6-[4-(2,4-dimethylphenyl)-5-thioxo-1,2,4-triazolidin-3-ylidene]cyclohexa-2,4-dien-1-one Formula: C16H15N3OS MolecularWeight: 297.3748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=C3C=CC=CC3=O)NNC2=S)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=C3C=CC=CC3=O)NNC2=S)C

InChI

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