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

Systemtic Name: 3-methyl-1-phenyl-5-[[4-(phenylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]pyrazole-4-carbonitrile Openeye Name: 5-[[4-benzyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile CAS Name: 3-methyl-1-phenyl-5-[[[4-(phenylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]methyl]-4-pyrazolecarbonitrile IUPAC Name: 5-[(4-benzyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-methyl-1-phenylpyrazole-4-carbonitrile Traditional Name: 5-[[[4-benzyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile Formula: C26H21N7S MolecularWeight: 463.55684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=NC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C(=C1C#N)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=NC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H21N7S/c1-19-23(16-27)24(33(31-19)22-10-6-3-7-11-22)18-34-26-30-29-25(21-12-14-28-15-13-21)32(26)17-20-8-4-2-5-9-20/h2-15H,17-18H2,1H3