4-[[3-[(4-methylphenyl)amino]-1H-1,2,4-triazol-5-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[3-[(4-methylphenyl)amino]-1H-1,2,4-triazol-5-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[3-(4-methylanilino)-1H-1,2,4-triazol-5-yl]methyl]benzonitrile CAS Name: 4-[[3-(4-methylanilino)-1H-1,2,4-triazol-5-yl]methyl]benzonitrile IUPAC Name: 4-[[3-(4-methylanilino)-1H-1,2,4-triazol-5-yl]methyl]benzonitrile Traditional Name: 4-[[3-(p-toluidino)-1H-1,2,4-triazol-5-yl]methyl]benzonitrile Formula: C17H15N5 MolecularWeight: 289.3345

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NNC(=N2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NNC(=N2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C17H15N5/c1-12-2-8-15(9-3-12)19-17-20-16(21-22-17)10-13-4-6-14(11-18)7-5-13/h2-9H,10H2,1H3,(H2,19,20,21,22)