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

Systemtic Name: 4-(benzotriazol-1-ylmethyl)-N-(6-chloranyl-1,3-benzothiazol-2-yl)benzamide Openeye Name: 4-(benzotriazol-1-ylmethyl)-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide CAS Name: 4-(1-benzotriazolylmethyl)-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide IUPAC Name: 4-(benzotriazol-1-ylmethyl)-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide Traditional Name: 4-(benzotriazol-1-ylmethyl)-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide Formula: C21H14ClN5OS MolecularWeight: 419.88676

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2CC3=CC=C(C=C3)C(=O)NC4=NC5=C(S4)C=C(C=C5)Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2CC3=CC=C(C=C3)C(=O)NC4=NC5=C(S4)C=C(C=C5)Cl

InChI

InChI=1S/C21H14ClN5OS/c22-15-9-10-17-19(11-15)29-21(23-17)24-20(28)14-7-5-13(6-8-14)12-27-18-4-2-1-3-16(18)25-26-27/h1-11H,12H2,(H,23,24,28)