4-(4-phenethyl-5-sulfanylidene-1,2,4-triazolidin-3-ylidene)cyclohexa-2,5-dien-1-one

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

C1=CC=C(C=C1)CCN2C(=C3C=CC(=O)C=C3)NNC2=S

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=C3C=CC(=O)C=C3)NNC2=S

InChI

InChI=1S/C16H15N3OS/c20-14-8-6-13(7-9-14)15-17-18-16(21)19(15)11-10-12-4-2-1-3-5-12/h1-9,17H,10-11H2,(H,18,21)