2-[[5-(1H-indol-3-ylmethyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: 2-[[5-(1H-indol-3-ylmethyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-benzyl-5-(1H-indol-3-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[5-(1H-indol-3-ylmethyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[4-benzyl-5-(1H-indol-3-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-benzyl-5-(1H-indol-3-ylmethyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C20H19N5OS MolecularWeight: 377.46276

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SCC(=O)N)CC3=CNC4=CC=CC=C43

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SCC(=O)N)CC3=CNC4=CC=CC=C43

InChI

InChI=1S/C20H19N5OS/c21-18(26)13-27-20-24-23-19(25(20)12-14-6-2-1-3-7-14)10-15-11-22-17-9-5-4-8-16(15)17/h1-9,11,22H,10,12-13H2,(H2,21,26)