N-(4-ethylphenyl)-2-[4-(4-ethylphenyl)-3-(phenoxymethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]ethanamide

Systemtic Name: N-(4-ethylphenyl)-2-[4-(4-ethylphenyl)-3-(phenoxymethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]ethanamide Openeye Name: N-(4-ethylphenyl)-2-[4-(4-ethylphenyl)-3-(phenoxymethyl)-5-thioxo-1,2,4-triazol-1-yl]acetamide CAS Name: N-(4-ethylphenyl)-2-[4-(4-ethylphenyl)-3-(phenoxymethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]acetamide IUPAC Name: N-(4-ethylphenyl)-2-[4-(4-ethylphenyl)-3-(phenoxymethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]acetamide Traditional Name: N-(4-ethylphenyl)-2-[4-(4-ethylphenyl)-3-(phenoxymethyl)-5-thioxo-1,2,4-triazol-1-yl]acetamide Formula: C27H28N4O2S MolecularWeight: 472.60182

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)CN2C(=S)N(C(=N2)COC3=CC=CC=C3)C4=CC=C(C=C4)CC

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)CN2C(=S)N(C(=N2)COC3=CC=CC=C3)C4=CC=C(C=C4)CC

InChI

InChI=1S/C27H28N4O2S/c1-3-20-10-14-22(15-11-20)28-26(32)18-30-27(34)31(23-16-12-21(4-2)13-17-23)25(29-30)19-33-24-8-6-5-7-9-24/h5-17H,3-4,18-19H2,1-2H3,(H,28,32)