N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[(5-isopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide CAS Name: N-methyl-N-[(1-phenyl-4-pyrazolyl)methyl]-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(5-isopropyl-1H-1,2,4-triazol-3-yl)thio]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide Formula: C18H22N6OS MolecularWeight: 370.47188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NN1)SCC(=O)N(C)CC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)C1=NC(=NN1)SCC(=O)N(C)CC2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C18H22N6OS/c1-13(2)17-20-18(22-21-17)26-12-16(25)23(3)10-14-9-19-24(11-14)15-7-5-4-6-8-15/h4-9,11,13H,10,12H2,1-3H3,(H,20,21,22)