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

Systemtic Name: 3-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile CAS Name: 3-[[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 3-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile Traditional Name: 3-[[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)thio]methyl]benzonitrile Formula: C18H16N4S MolecularWeight: 320.41144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC2=CC=CC=C2)SCC3=CC=CC(=C3)C#N

Isomeric SMILES

CC1=NN=C(N1CC2=CC=CC=C2)SCC3=CC=CC(=C3)C#N

InChI

InChI=1S/C18H16N4S/c1-14-20-21-18(22(14)12-15-6-3-2-4-7-15)23-13-17-9-5-8-16(10-17)11-19/h2-10H,12-13H2,1H3