N-methyl-N-phenyl-2-[[5-(phenylmethyl)-4-pyrrol-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-methyl-N-phenyl-2-[[5-(phenylmethyl)-4-pyrrol-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[(5-benzyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-phenyl-acetamide CAS Name: N-methyl-N-phenyl-2-[[5-(phenylmethyl)-4-(1-pyrrolyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[(5-benzyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-phenylacetamide Traditional Name: 2-[(5-benzyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)thio]-N-methyl-N-phenyl-acetamide Formula: C22H21N5OS MolecularWeight: 403.50004

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C(=O)CSC2=NN=C(N2N3C=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CN(C1=CC=CC=C1)C(=O)CSC2=NN=C(N2N3C=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C22H21N5OS/c1-25(19-12-6-3-7-13-19)21(28)17-29-22-24-23-20(16-18-10-4-2-5-11-18)27(22)26-14-8-9-15-26/h2-15H,16-17H2,1H3