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

Systemtic Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(1H-pyrrol-2-yl)ethanone Openeye Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(1H-pyrrol-2-yl)ethanone CAS Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]-1-(1H-pyrrol-2-yl)ethanone IUPAC Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(1H-pyrrol-2-yl)ethanone Traditional Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]-1-(1H-pyrrol-2-yl)ethanone Formula: C17H16N4OS MolecularWeight: 324.40014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC(=NN2C3=CC=CC=C3)SCC(=O)C4=CC=CN4

Isomeric SMILES

C1CC1C2=NC(=NN2C3=CC=CC=C3)SCC(=O)C4=CC=CN4

InChI

InChI=1S/C17H16N4OS/c22-15(14-7-4-10-18-14)11-23-17-19-16(12-8-9-12)21(20-17)13-5-2-1-3-6-13/h1-7,10,12,18H,8-9,11H2