4-[(4-methoxy-3-methyl-phenyl)methyl-(1,2,4-triazol-4-yl)amino]benzenecarbonitrile

Systemtic Name: 4-[(4-methoxy-3-methyl-phenyl)methyl-(1,2,4-triazol-4-yl)amino]benzenecarbonitrile Openeye Name: 4-[(4-methoxy-3-methyl-phenyl)methyl-(1,2,4-triazol-4-yl)amino]benzonitrile CAS Name: 4-[(4-methoxy-3-methylphenyl)methyl-(1,2,4-triazol-4-yl)amino]benzonitrile IUPAC Name: 4-[(4-methoxy-3-methylphenyl)methyl-(1,2,4-triazol-4-yl)amino]benzonitrile Traditional Name: 4-[(4-methoxy-3-methyl-benzyl)-(1,2,4-triazol-4-yl)amino]benzonitrile Formula: C18H17N5O MolecularWeight: 319.36048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CN(C2=CC=C(C=C2)C#N)N3C=NN=C3)OC

Isomeric SMILES

CC1=C(C=CC(=C1)CN(C2=CC=C(C=C2)C#N)N3C=NN=C3)OC

InChI

InChI=1S/C18H17N5O/c1-14-9-16(5-8-18(14)24-2)11-23(22-12-20-21-13-22)17-6-3-15(10-19)4-7-17/h3-9,12-13H,11H2,1-2H3