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

Systemtic Name: 3-methyl-1-phenyl-5-[(1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyrazole-4-carbonitrile Openeye Name: 3-methyl-1-phenyl-5-[(1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyrazole-4-carbonitrile CAS Name: 3-methyl-1-phenyl-5-[[(1-phenyl-1,2,4-triazol-3-yl)thio]methyl]-4-pyrazolecarbonitrile IUPAC Name: 3-methyl-1-phenyl-5-[(1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyrazole-4-carbonitrile Traditional Name: 3-methyl-1-phenyl-5-[[(1-phenyl-1,2,4-triazol-3-yl)thio]methyl]pyrazole-4-carbonitrile Formula: C20H16N6S MolecularWeight: 372.44624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)CSC2=NN(C=N2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C#N)CSC2=NN(C=N2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C20H16N6S/c1-15-18(12-21)19(26(23-15)17-10-6-3-7-11-17)13-27-20-22-14-25(24-20)16-8-4-2-5-9-16/h2-11,14H,13H2,1H3