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

Systemtic Name: 2-[3-(phenoxymethyl)-4-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]-N-phenyl-ethanamide Openeye Name: 2-[4-benzyl-3-(phenoxymethyl)-5-thioxo-1,2,4-triazol-1-yl]-N-phenyl-acetamide CAS Name: 2-[3-(phenoxymethyl)-4-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]-N-phenylacetamide IUPAC Name: 2-[4-benzyl-3-(phenoxymethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]-N-phenylacetamide Traditional Name: 2-[4-benzyl-3-(phenoxymethyl)-5-thioxo-1,2,4-triazol-1-yl]-N-phenyl-acetamide Formula: C24H22N4O2S MolecularWeight: 430.52208

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN(C2=S)CC(=O)NC3=CC=CC=C3)COC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN(C2=S)CC(=O)NC3=CC=CC=C3)COC4=CC=CC=C4

InChI

InChI=1S/C24H22N4O2S/c29-23(25-20-12-6-2-7-13-20)17-28-24(31)27(16-19-10-4-1-5-11-19)22(26-28)18-30-21-14-8-3-9-15-21/h1-15H,16-18H2,(H,25,29)