(6Z)-6-(4-phenethyl-5-sulfanylidene-1,2,4-triazolidin-3-ylidene)cyclohexa-2,4-dien-1-one

Systemtic Name: (6Z)-6-(4-phenethyl-5-sulfanylidene-1,2,4-triazolidin-3-ylidene)cyclohexa-2,4-dien-1-one Openeye Name: (6Z)-6-(4-phenethyl-5-thioxo-1,2,4-triazolidin-3-ylidene)cyclohexa-2,4-dien-1-one CAS Name: (6Z)-6-(4-phenethyl-5-sulfanylidene-1,2,4-triazolidin-3-ylidene)-1-cyclohexa-2,4-dienone IUPAC Name: (6Z)-6-(4-phenethyl-5-sulfanylidene-1,2,4-triazolidin-3-ylidene)cyclohexa-2,4-dien-1-one Traditional Name: (6Z)-6-(4-phenethyl-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:

C1=CC=C(C=C1)CCN2C(=C3C=CC=CC3=O)NNC2=S

Isomeric SMILES

C1=CC=C(C=C1)CCN2/C(=C/3\C=CC=CC3=O)/NNC2=S

InChI

InChI=1S/C16H15N3OS/c20-14-9-5-4-8-13(14)15-17-18-16(21)19(15)11-10-12-6-2-1-3-7-12/h1-9,17H,10-11H2,(H,18,21)/b15-13+