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

Systemtic Name: 2-[(4-cyclopropyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]ethanamide Openeye Name: 2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide CAS Name: 2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]-N-methyl-N-[(1-phenyl-4-pyrazolyl)methyl]acetamide IUPAC Name: 2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide Traditional Name: 2-[(4-cyclopropyl-5-keto-1H-1,2,4-triazol-3-yl)thio]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide Formula: C18H20N6O2S MolecularWeight: 384.4554

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1)C2=CC=CC=C2)C(=O)CSC3=NNC(=O)N3C4CC4

Isomeric SMILES

CN(CC1=CN(N=C1)C2=CC=CC=C2)C(=O)CSC3=NNC(=O)N3C4CC4

InChI

InChI=1S/C18H20N6O2S/c1-22(10-13-9-19-23(11-13)14-5-3-2-4-6-14)16(25)12-27-18-21-20-17(26)24(18)15-7-8-15/h2-6,9,11,15H,7-8,10,12H2,1H3,(H,20,26)