1-[1-(diphenylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone

Systemtic Name: 1-[1-(diphenylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone Openeye Name: 1-(1-benzhydryl-2,5-dimethyl-pyrrol-3-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone CAS Name: 1-[1-(diphenylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-(1H-1,2,4-triazol-5-ylthio)ethanone IUPAC Name: 1-(1-benzhydryl-2,5-dimethylpyrrol-3-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone Traditional Name: 1-(1-benzhydryl-2,5-dimethyl-pyrrol-3-yl)-2-(1H-1,2,4-triazol-5-ylthio)ethanone Formula: C23H22N4OS MolecularWeight: 402.51198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C2=CC=CC=C2)C3=CC=CC=C3)C)C(=O)CSC4=NC=NN4

Isomeric SMILES

CC1=CC(=C(N1C(C2=CC=CC=C2)C3=CC=CC=C3)C)C(=O)CSC4=NC=NN4

InChI

InChI=1S/C23H22N4OS/c1-16-13-20(21(28)14-29-23-24-15-25-26-23)17(2)27(16)22(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-13,15,22H,14H2,1-2H3,(H,24,25,26)