1-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-3,3-dimethyl-butan-2-one

Systemtic Name: 1-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-3,3-dimethyl-butan-2-one Openeye Name: 1-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethyl-butan-2-one CAS Name: 1-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-3,3-dimethyl-2-butanone IUPAC Name: 1-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-3,3-dimethylbutan-2-one Traditional Name: 1-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-3,3-dimethyl-butan-2-one Formula: C16H20N4OS MolecularWeight: 316.4212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NN=C(N1C2CC2)C3=CC=NC=C3

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NN=C(N1C2CC2)C3=CC=NC=C3

InChI

InChI=1S/C16H20N4OS/c1-16(2,3)13(21)10-22-15-19-18-14(20(15)12-4-5-12)11-6-8-17-9-7-11/h6-9,12H,4-5,10H2,1-3H3