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

Systemtic Name: 1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C22H24N4OS MolecularWeight: 392.51716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C(=O)CSC3=NN(C(=N3)C4CC4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C(=O)CSC3=NN(C(=N3)C4CC4)C5=CC=CC=C5

InChI

InChI=1S/C22H24N4OS/c1-14-12-19(15(2)25(14)17-10-11-17)20(27)13-28-22-23-21(16-8-9-16)26(24-22)18-6-4-3-5-7-18/h3-7,12,16-17H,8-11,13H2,1-2H3