5-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile

Systemtic Name: 5-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile Openeye Name: 5-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile CAS Name: 5-[[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]thio]methyl]-3-methyl-1-phenyl-4-pyrazolecarbonitrile IUPAC Name: 5-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-1-phenylpyrazole-4-carbonitrile Traditional Name: 5-[[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]thio]methyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile Formula: C20H15ClN6S MolecularWeight: 406.8913

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)CSC2=NN=CN2C3=CC(=CC=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C#N)CSC2=NN=CN2C3=CC(=CC=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C20H15ClN6S/c1-14-18(11-22)19(27(25-14)16-7-3-2-4-8-16)12-28-20-24-23-13-26(20)17-9-5-6-15(21)10-17/h2-10,13H,12H2,1H3