N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide

Systemtic Name: N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide Openeye Name: N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide CAS Name: N-[2-(1-pyrrolidinyl)-1,3-benzothiazol-6-yl]-4-(1,2,4-triazol-1-ylmethyl)benzamide IUPAC Name: N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide Traditional Name: N-(2-pyrrolidino-1,3-benzothiazol-6-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide Formula: C21H20N6OS MolecularWeight: 404.4881

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)CN5C=NC=N5

Isomeric SMILES

C1CCN(C1)C2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)CN5C=NC=N5

InChI

InChI=1S/C21H20N6OS/c28-20(16-5-3-15(4-6-16)12-27-14-22-13-23-27)24-17-7-8-18-19(11-17)29-21(25-18)26-9-1-2-10-26/h3-8,11,13-14H,1-2,9-10,12H2,(H,24,28)