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

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

CCC1=CC=C(C=C1)N2C(=C3C=CC(=O)C=C3)NNC2=S

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=C3C=CC(=O)C=C3)NNC2=S

InChI

InChI=1S/C16H15N3OS/c1-2-11-3-7-13(8-4-11)19-15(17-18-16(19)21)12-5-9-14(20)10-6-12/h3-10,17H,2H2,1H3,(H,18,21)