4-[(3-methylbenzotriazol-5-yl)methyl]-3-(1,2,4-triazol-1-ylmethyl)benzenecarbonitrile

Systemtic Name: 4-[(3-methylbenzotriazol-5-yl)methyl]-3-(1,2,4-triazol-1-ylmethyl)benzenecarbonitrile Openeye Name: 4-[(3-methylbenzotriazol-5-yl)methyl]-3-(1,2,4-triazol-1-ylmethyl)benzonitrile CAS Name: 4-[(3-methyl-5-benzotriazolyl)methyl]-3-(1,2,4-triazol-1-ylmethyl)benzonitrile IUPAC Name: 4-[(3-methylbenzotriazol-5-yl)methyl]-3-(1,2,4-triazol-1-ylmethyl)benzonitrile Traditional Name: 4-[(3-methylbenzotriazol-5-yl)methyl]-3-(1,2,4-triazol-1-ylmethyl)benzonitrile Formula: C18H15N7 MolecularWeight: 329.3586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2)CC3=C(C=C(C=C3)C#N)CN4C=NC=N4)N=N1

Isomeric SMILES

CN1C2=C(C=CC(=C2)CC3=C(C=C(C=C3)C#N)CN4C=NC=N4)N=N1

InChI

InChI=1S/C18H15N7/c1-24-18-8-13(3-5-17(18)22-23-24)6-15-4-2-14(9-19)7-16(15)10-25-12-20-11-21-25/h2-5,7-8,11-12H,6,10H2,1H3