2-[[5-(2-chlorophenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2,5-dimethyl-1-propyl-pyrrol-3-yl)ethanone

Systemtic Name: 2-[[5-(2-chlorophenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2,5-dimethyl-1-propyl-pyrrol-3-yl)ethanone Openeye Name: 2-[[4-benzyl-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2,5-dimethyl-1-propyl-pyrrol-3-yl)ethanone CAS Name: 2-[[5-(2-chlorophenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-(2,5-dimethyl-1-propyl-3-pyrrolyl)ethanone IUPAC Name: 2-[[4-benzyl-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2,5-dimethyl-1-propylpyrrol-3-yl)ethanone Traditional Name: 2-[[4-benzyl-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]thio]-1-(2,5-dimethyl-1-propyl-pyrrol-3-yl)ethanone Formula: C26H27ClN4OS MolecularWeight: 479.03678

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CC=C4Cl)C

Isomeric SMILES

CCCN1C(=CC(=C1C)C(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CC=C4Cl)C

InChI

InChI=1S/C26H27ClN4OS/c1-4-14-30-18(2)15-22(19(30)3)24(32)17-33-26-29-28-25(21-12-8-9-13-23(21)27)31(26)16-20-10-6-5-7-11-20/h5-13,15H,4,14,16-17H2,1-3H3