4-[[5-(methoxymethyl)-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[[5-(methoxymethyl)-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[5-(methoxymethyl)-4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[5-(methoxymethyl)-4-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 4-[[5-(methoxymethyl)-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[5-(methoxymethyl)-4-(o-tolyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C19H18N4OS MolecularWeight: 350.43742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SCC3=CC=C(C=C3)C#N)COC

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SCC3=CC=C(C=C3)C#N)COC

InChI

InChI=1S/C19H18N4OS/c1-14-5-3-4-6-17(14)23-18(12-24-2)21-22-19(23)25-13-16-9-7-15(11-20)8-10-16/h3-10H,12-13H2,1-2H3