3-[5-methyl-2-phenyl-4-(phenylmethyl)pyrazol-3-yl]sulfanylbenzenecarbonitrile

Systemtic Name: 3-[5-methyl-2-phenyl-4-(phenylmethyl)pyrazol-3-yl]sulfanylbenzenecarbonitrile Openeye Name: 3-(4-benzyl-5-methyl-2-phenyl-pyrazol-3-yl)sulfanylbenzonitrile CAS Name: 3-[[5-methyl-2-phenyl-4-(phenylmethyl)-3-pyrazolyl]thio]benzonitrile IUPAC Name: 3-(4-benzyl-5-methyl-2-phenylpyrazol-3-yl)sulfanylbenzonitrile Traditional Name: 3-[(4-benzyl-5-methyl-2-phenyl-pyrazol-3-yl)thio]benzonitrile Formula: C24H19N3S MolecularWeight: 381.49276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CC2=CC=CC=C2)SC3=CC=CC(=C3)C#N)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1CC2=CC=CC=C2)SC3=CC=CC(=C3)C#N)C4=CC=CC=C4

InChI

InChI=1S/C24H19N3S/c1-18-23(16-19-9-4-2-5-10-19)24(27(26-18)21-12-6-3-7-13-21)28-22-14-8-11-20(15-22)17-25/h2-15H,16H2,1H3