3-[5-[(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methylsulfanyl]-4-cyclopropyl-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[5-[(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methylsulfanyl]-4-cyclopropyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[5-[(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methylsulfanyl]-4-cyclopropyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[5-[(4-cyano-5-methyl-2-phenyl-3-pyrazolyl)methylthio]-4-cyclopropyl-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[5-[(4-cyano-5-methyl-2-phenylpyrazol-3-yl)methylsulfanyl]-4-cyclopropyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[5-[(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methylthio]-4-cyclopropyl-1,2,4-triazol-3-yl]propionamide Formula: C20H21N7OS MolecularWeight: 407.49204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)CSC2=NN=C(N2C3CC3)CCC(=O)N)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C#N)CSC2=NN=C(N2C3CC3)CCC(=O)N)C4=CC=CC=C4

InChI

InChI=1S/C20H21N7OS/c1-13-16(11-21)17(27(25-13)15-5-3-2-4-6-15)12-29-20-24-23-19(10-9-18(22)28)26(20)14-7-8-14/h2-6,14H,7-10,12H2,1H3,(H2,22,28)