3-methyl-1-phenyl-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyrazole-4-carbonitrile

Systemtic Name: 3-methyl-1-phenyl-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyrazole-4-carbonitrile Openeye Name: 3-methyl-1-phenyl-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyrazole-4-carbonitrile CAS Name: 3-methyl-1-phenyl-5-[(1H-1,2,4-triazol-5-ylthio)methyl]-4-pyrazolecarbonitrile IUPAC Name: 3-methyl-1-phenyl-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyrazole-4-carbonitrile Traditional Name: 3-methyl-1-phenyl-5-[(1H-1,2,4-triazol-5-ylthio)methyl]pyrazole-4-carbonitrile Formula: C14H12N6S MolecularWeight: 296.35028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)CSC2=NC=NN2)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C#N)CSC2=NC=NN2)C3=CC=CC=C3

InChI

InChI=1S/C14H12N6S/c1-10-12(7-15)13(8-21-14-16-9-17-18-14)20(19-10)11-5-3-2-4-6-11/h2-6,9H,8H2,1H3,(H,16,17,18)