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

Systemtic Name: 1-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C25H26N4OS MolecularWeight: 430.56514

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4)C

Isomeric SMILES

CCCN1C(=CC(=C1C)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C25H26N4OS/c1-4-15-28-18(2)16-22(19(28)3)23(30)17-31-25-27-26-24(20-11-7-5-8-12-20)29(25)21-13-9-6-10-14-21/h5-14,16H,4,15,17H2,1-3H3