1-(1H-indol-3-yl)-2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-ethanone

Systemtic Name: 1-(1H-indol-3-yl)-2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-ethanone Openeye Name: 2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(1H-indol-3-yl)-2-phenyl-ethanone CAS Name: 1-(1H-indol-3-yl)-2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-2-phenylethanone IUPAC Name: 2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(1H-indol-3-yl)-2-phenylethanone Traditional Name: 2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)thio]-1-(1H-indol-3-yl)-2-phenyl-ethanone Formula: C26H22N4OS MolecularWeight: 438.54408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC2=CC=CC=C2)SC(C3=CC=CC=C3)C(=O)C4=CNC5=CC=CC=C54

Isomeric SMILES

CC1=NN=C(N1CC2=CC=CC=C2)SC(C3=CC=CC=C3)C(=O)C4=CNC5=CC=CC=C54

InChI

InChI=1S/C26H22N4OS/c1-18-28-29-26(30(18)17-19-10-4-2-5-11-19)32-25(20-12-6-3-7-13-20)24(31)22-16-27-23-15-9-8-14-21(22)23/h2-16,25,27H,17H2,1H3