N-(4-cyano-2-methyl-pyrazol-3-yl)-2-[[5-(phenylsulfanylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-cyano-2-methyl-pyrazol-3-yl)-2-[[5-(phenylsulfanylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(phenylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-cyano-2-methyl-pyrazol-3-yl)acetamide CAS Name: N-(4-cyano-2-methyl-3-pyrazolyl)-2-[[5-[(phenylthio)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-cyano-2-methylpyrazol-3-yl)-2-[[5-(phenylsulfanylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-[(phenylthio)methyl]-1,2,4-triazol-3-yl]thio]-N-(4-cyano-2-methyl-pyrazol-3-yl)acetamide Formula: C19H19N7OS2 MolecularWeight: 425.53046

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)C#N)NC(=O)CSC2=NN=C(N2CC=C)CSC3=CC=CC=C3

Isomeric SMILES

CN1C(=C(C=N1)C#N)NC(=O)CSC2=NN=C(N2CC=C)CSC3=CC=CC=C3

InChI

InChI=1S/C19H19N7OS2/c1-3-9-26-16(12-28-15-7-5-4-6-8-15)23-24-19(26)29-13-17(27)22-18-14(10-20)11-21-25(18)2/h3-8,11H,1,9,12-13H2,2H3,(H,22,27)