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

Systemtic Name: N-(4-ethoxyphenyl)-2-[4-(4-ethylphenyl)-3-(phenoxymethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]ethanamide Openeye Name: N-(4-ethoxyphenyl)-2-[4-(4-ethylphenyl)-3-(phenoxymethyl)-5-thioxo-1,2,4-triazol-1-yl]acetamide CAS Name: N-(4-ethoxyphenyl)-2-[4-(4-ethylphenyl)-3-(phenoxymethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]acetamide IUPAC Name: N-(4-ethoxyphenyl)-2-[4-(4-ethylphenyl)-3-(phenoxymethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]acetamide Traditional Name: 2-[4-(4-ethylphenyl)-3-(phenoxymethyl)-5-thioxo-1,2,4-triazol-1-yl]-N-p-phenetyl-acetamide Formula: C27H28N4O3S MolecularWeight: 488.60122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N4O3S/c1-3-20-10-14-22(15-11-20)31-25(19-34-23-8-6-5-7-9-23)29-30(27(31)35)18-26(32)28-21-12-16-24(17-13-21)33-4-2/h5-17H,3-4,18-19H2,1-2H3,(H,28,32)