4-[(4-phenethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)-sulfanyl-methyl]benzenecarbonitrile

Systemtic Name: 4-[(4-phenethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)-sulfanyl-methyl]benzenecarbonitrile Openeye Name: 4-[[4-phenethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]-sulfanyl-methyl]benzonitrile CAS Name: 4-[mercapto-(4-phenethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)methyl]benzonitrile IUPAC Name: 4-[(4-phenethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)-sulfanylmethyl]benzonitrile Traditional Name: 4-[mercapto-[4-phenethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]methyl]benzonitrile Formula: C23H19N5S MolecularWeight: 397.49546

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=NN=C2C(C3=CC=C(C=C3)C#N)S)C4=CC=NC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=NN=C2C(C3=CC=C(C=C3)C#N)S)C4=CC=NC=C4

InChI

InChI=1S/C23H19N5S/c24-16-18-6-8-19(9-7-18)21(29)23-27-26-22(20-10-13-25-14-11-20)28(23)15-12-17-4-2-1-3-5-17/h1-11,13-14,21,29H,12,15H2