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

Systemtic Name: 4-[3-[(3,4,5-trimethoxyphenyl)amino]-1,2,4-triazol-1-yl]benzenecarbonitrile Openeye Name: 4-[3-(3,4,5-trimethoxyanilino)-1,2,4-triazol-1-yl]benzonitrile CAS Name: 4-[3-(3,4,5-trimethoxyanilino)-1,2,4-triazol-1-yl]benzonitrile IUPAC Name: 4-[3-(3,4,5-trimethoxyanilino)-1,2,4-triazol-1-yl]benzonitrile Traditional Name: 4-[3-(3,4,5-trimethoxyanilino)-1,2,4-triazol-1-yl]benzonitrile Formula: C18H17N5O3 MolecularWeight: 351.35928

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC2=NN(C=N2)C3=CC=C(C=C3)C#N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC2=NN(C=N2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H17N5O3/c1-24-15-8-13(9-16(25-2)17(15)26-3)21-18-20-11-23(22-18)14-6-4-12(10-19)5-7-14/h4-9,11H,1-3H3,(H,21,22)