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

Systemtic Name: 2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-phenylethanone IUPAC Name: 2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanone Traditional Name: 2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-1-phenyl-ethanone Formula: C18H16N4OS MolecularWeight: 336.41084

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC(=O)C3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

C1CC1N2C(=NN=C2SCC(=O)C3=CC=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C18H16N4OS/c23-16(13-4-2-1-3-5-13)12-24-18-21-20-17(22(18)15-6-7-15)14-8-10-19-11-9-14/h1-5,8-11,15H,6-7,12H2