4-(benzotriazol-1-ylmethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide

Systemtic Name: 4-(benzotriazol-1-ylmethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide Openeye Name: 4-(benzotriazol-1-ylmethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide CAS Name: 4-(1-benzotriazolylmethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide IUPAC Name: 4-(benzotriazol-1-ylmethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide Traditional Name: 4-(benzotriazol-1-ylmethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide Formula: C22H17N5OS MolecularWeight: 399.46828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)CN4C5=CC=CC=C5N=N4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)CN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C22H17N5OS/c1-14-6-11-18-20(12-14)29-22(23-18)24-21(28)16-9-7-15(8-10-16)13-27-19-5-3-2-4-17(19)25-26-27/h2-12H,13H2,1H3,(H,23,24,28)