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

Systemtic Name: 2-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone Openeye Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone CAS Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone IUPAC Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone Traditional Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-1-(3-phenyl-2-pyrazolin-1-yl)ethanone Formula: C16H18N6OS MolecularWeight: 342.41872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2N)SCC(=O)N3CCC(=N3)C4=CC=CC=C4

Isomeric SMILES

C1CC1C2=NN=C(N2N)SCC(=O)N3CCC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C16H18N6OS/c17-22-15(12-6-7-12)18-19-16(22)24-10-14(23)21-9-8-13(20-21)11-4-2-1-3-5-11/h1-5,12H,6-10,17H2