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

Systemtic Name: 2-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)ethanone Openeye Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)ethanone CAS Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-1-(2,5-dimethyl-1-phenyl-3-pyrrolyl)ethanone IUPAC Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone Traditional Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)ethanone Formula: C19H21N5OS MolecularWeight: 367.46794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)CSC3=NN=C(N3N)C4CC4

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)CSC3=NN=C(N3N)C4CC4

InChI

InChI=1S/C19H21N5OS/c1-12-10-16(13(2)23(12)15-6-4-3-5-7-15)17(25)11-26-19-22-21-18(24(19)20)14-8-9-14/h3-7,10,14H,8-9,11,20H2,1-2H3