N-[2-(4-chlorophenyl)-6-methyl-benzotriazol-5-yl]-1H-1,2,4-triazole-5-carboxamide

Systemtic Name: N-[2-(4-chlorophenyl)-6-methyl-benzotriazol-5-yl]-1H-1,2,4-triazole-5-carboxamide Openeye Name: N-[2-(4-chlorophenyl)-6-methyl-benzotriazol-5-yl]-1H-1,2,4-triazole-5-carboxamide CAS Name: N-[2-(4-chlorophenyl)-6-methyl-5-benzotriazolyl]-1H-1,2,4-triazole-5-carboxamide IUPAC Name: N-[2-(4-chlorophenyl)-6-methylbenzotriazol-5-yl]-1H-1,2,4-triazole-5-carboxamide Traditional Name: N-[2-(4-chlorophenyl)-6-methyl-benzotriazol-5-yl]-1H-1,2,4-triazole-5-carboxamide Formula: C16H12ClN7O MolecularWeight: 353.76578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NN(N=C2C=C1NC(=O)C3=NC=NN3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC2=NN(N=C2C=C1NC(=O)C3=NC=NN3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C16H12ClN7O/c1-9-6-13-14(7-12(9)20-16(25)15-18-8-19-21-15)23-24(22-13)11-4-2-10(17)3-5-11/h2-8H,1H3,(H,20,25)(H,18,19,21)