2-pyrrol-1-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1,3-benzothiazole-6-carboxamide

Systemtic Name: 2-pyrrol-1-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1,3-benzothiazole-6-carboxamide Openeye Name: 2-pyrrol-1-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1,3-benzothiazole-6-carboxamide CAS Name: 2-(1-pyrrolyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1,3-benzothiazole-6-carboxamide IUPAC Name: 2-pyrrol-1-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1,3-benzothiazole-6-carboxamide Traditional Name: 2-pyrrol-1-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1,3-benzothiazole-6-carboxamide Formula: C21H16N6OS MolecularWeight: 400.45634

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=C1)C2=NC3=C(S2)C=C(C=C3)C(=O)NC4=CC=C(C=C4)CN5C=NC=N5

Isomeric SMILES

C1=CN(C=C1)C2=NC3=C(S2)C=C(C=C3)C(=O)NC4=CC=C(C=C4)CN5C=NC=N5

InChI

InChI=1S/C21H16N6OS/c28-20(24-17-6-3-15(4-7-17)12-27-14-22-13-23-27)16-5-8-18-19(11-16)29-21(25-18)26-9-1-2-10-26/h1-11,13-14H,12H2,(H,24,28)