4-(benzotriazol-1-ylmethyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide

Systemtic Name: 4-(benzotriazol-1-ylmethyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide Openeye Name: 4-(benzotriazol-1-ylmethyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide CAS Name: 4-(1-benzotriazolylmethyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide IUPAC Name: 4-(benzotriazol-1-ylmethyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide Traditional Name: 4-(benzotriazol-1-ylmethyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide Formula: C21H19N5OS MolecularWeight: 389.47346

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)N=C(S2)NC(=O)C3=CC=C(C=C3)CN4C5=CC=CC=C5N=N4

Isomeric SMILES

C1CCC2=C(C1)N=C(S2)NC(=O)C3=CC=C(C=C3)CN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C21H19N5OS/c27-20(23-21-22-17-6-2-4-8-19(17)28-21)15-11-9-14(10-12-15)13-26-18-7-3-1-5-16(18)24-25-26/h1,3,5,7,9-12H,2,4,6,8,13H2,(H,22,23,27)