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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NN=C(N2N3C=CC=C3)SCC(=O)NCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CC2=NN=C(N2N3C=CC=C3)SCC(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C22H21N5OS/c28-21(23-16-19-11-5-2-6-12-19)17-29-22-25-24-20(15-18-9-3-1-4-10-18)27(22)26-13-7-8-14-26/h1-14H,15-17H2,(H,23,28)