N-(1,3-benzothiazol-2-ylmethyl)-2-(2,4-dimethylphenyl)-5-methyl-1,2,3-triazole-4-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-2-(2,4-dimethylphenyl)-5-methyl-1,2,3-triazole-4-carboxamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-2-(2,4-dimethylphenyl)-5-methyl-triazole-4-carboxamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-2-(2,4-dimethylphenyl)-5-methyl-4-triazolecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-2-(2,4-dimethylphenyl)-5-methyl-triazole-4-carboxamide Formula: C20H19N5OS MolecularWeight: 377.46276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2N=C(C(=N2)C(=O)NCC3=NC4=CC=CC=C4S3)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2N=C(C(=N2)C(=O)NCC3=NC4=CC=CC=C4S3)C)C

InChI

InChI=1S/C20H19N5OS/c1-12-8-9-16(13(2)10-12)25-23-14(3)19(24-25)20(26)21-11-18-22-15-6-4-5-7-17(15)27-18/h4-10H,11H2,1-3H3,(H,21,26)