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

Systemtic Name: N-(2,5-dimethylphenyl)-2-[4-(4-ethylphenyl)-3-(phenoxymethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]ethanamide Openeye Name: N-(2,5-dimethylphenyl)-2-[4-(4-ethylphenyl)-3-(phenoxymethyl)-5-thioxo-1,2,4-triazol-1-yl]acetamide CAS Name: N-(2,5-dimethylphenyl)-2-[4-(4-ethylphenyl)-3-(phenoxymethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]acetamide IUPAC Name: N-(2,5-dimethylphenyl)-2-[4-(4-ethylphenyl)-3-(phenoxymethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]acetamide Traditional Name: N-(2,5-dimethylphenyl)-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)N2C(=NN(C2=S)CC(=O)NC3=C(C=CC(=C3)C)C)COC4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=NN(C2=S)CC(=O)NC3=C(C=CC(=C3)C)C)COC4=CC=CC=C4

InChI

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