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

Systemtic Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)ethanone Openeye Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)ethanone CAS Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]-1-(1-ethyl-2,5-dimethyl-3-pyrrolyl)ethanone IUPAC Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone Traditional Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]-1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)ethanone Formula: C21H24N4OS MolecularWeight: 380.50646

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C(=O)CSC2=NN(C(=N2)C3CC3)C4=CC=CC=C4)C

Isomeric SMILES

CCN1C(=CC(=C1C)C(=O)CSC2=NN(C(=N2)C3CC3)C4=CC=CC=C4)C

InChI

InChI=1S/C21H24N4OS/c1-4-24-14(2)12-18(15(24)3)19(26)13-27-21-22-20(16-10-11-16)25(23-21)17-8-6-5-7-9-17/h5-9,12,16H,4,10-11,13H2,1-3H3