3-[[4-(phenylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-[[4-(phenylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[4-benzyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[4-(phenylmethyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 3-[(4-benzyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile Traditional Name: 3-[[[4-benzyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C22H17N5S MolecularWeight: 383.46888

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SCC3=CC=CC(=C3)C#N)C4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SCC3=CC=CC(=C3)C#N)C4=CN=CC=C4

InChI

InChI=1S/C22H17N5S/c23-13-18-8-4-9-19(12-18)16-28-22-26-25-21(20-10-5-11-24-14-20)27(22)15-17-6-2-1-3-7-17/h1-12,14H,15-16H2