2-(4-methylimidazol-1-yl)-5-[[1-(phenylmethyl)-1,2,4-triazol-3-yl]amino]benzenecarbonitrile

Systemtic Name: 2-(4-methylimidazol-1-yl)-5-[[1-(phenylmethyl)-1,2,4-triazol-3-yl]amino]benzenecarbonitrile Openeye Name: 5-[(1-benzyl-1,2,4-triazol-3-yl)amino]-2-(4-methylimidazol-1-yl)benzonitrile CAS Name: 2-(4-methyl-1-imidazolyl)-5-[[1-(phenylmethyl)-1,2,4-triazol-3-yl]amino]benzonitrile IUPAC Name: 5-[(1-benzyl-1,2,4-triazol-3-yl)amino]-2-(4-methylimidazol-1-yl)benzonitrile Traditional Name: 5-[(1-benzyl-1,2,4-triazol-3-yl)amino]-2-(4-methylimidazol-1-yl)benzonitrile Formula: C20H17N7 MolecularWeight: 355.39588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C=N1)C2=C(C=C(C=C2)NC3=NN(C=N3)CC4=CC=CC=C4)C#N

Isomeric SMILES

CC1=CN(C=N1)C2=C(C=C(C=C2)NC3=NN(C=N3)CC4=CC=CC=C4)C#N

InChI

InChI=1S/C20H17N7/c1-15-11-26(13-22-15)19-8-7-18(9-17(19)10-21)24-20-23-14-27(25-20)12-16-5-3-2-4-6-16/h2-9,11,13-14H,12H2,1H3,(H,24,25)