(3E)-3-(4-phenethyl-5-sulfanylidene-1,2,4-triazolidin-3-ylidene)naphthalen-2-one

Systemtic Name: (3E)-3-(4-phenethyl-5-sulfanylidene-1,2,4-triazolidin-3-ylidene)naphthalen-2-one Openeye Name: (3E)-3-(4-phenethyl-5-thioxo-1,2,4-triazolidin-3-ylidene)naphthalen-2-one CAS Name: (3E)-3-(4-phenethyl-5-sulfanylidene-1,2,4-triazolidin-3-ylidene)-2-naphthalenone IUPAC Name: (3E)-3-(4-phenethyl-5-sulfanylidene-1,2,4-triazolidin-3-ylidene)naphthalen-2-one Traditional Name: (3E)-3-(4-phenethyl-5-thioxo-1,2,4-triazolidin-3-ylidene)naphthalen-2-one Formula: C20H17N3OS MolecularWeight: 347.43348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=C3C=C4C=CC=CC4=CC3=O)NNC2=S

Isomeric SMILES

C1=CC=C(C=C1)CCN2/C(=C\3/C=C4C=CC=CC4=CC3=O)/NNC2=S

InChI

InChI=1S/C20H17N3OS/c24-18-13-16-9-5-4-8-15(16)12-17(18)19-21-22-20(25)23(19)11-10-14-6-2-1-3-7-14/h1-9,12-13,21H,10-11H2,(H,22,25)/b19-17-