N-[5-(1,3-benzothiazol-2-yl)-2-chloranyl-phenyl]-1H-1,2,4-triazole-5-carboxamide

Systemtic Name: N-[5-(1,3-benzothiazol-2-yl)-2-chloranyl-phenyl]-1H-1,2,4-triazole-5-carboxamide Openeye Name: N-[5-(1,3-benzothiazol-2-yl)-2-chloro-phenyl]-1H-1,2,4-triazole-5-carboxamide CAS Name: N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-1H-1,2,4-triazole-5-carboxamide IUPAC Name: N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-1H-1,2,4-triazole-5-carboxamide Traditional Name: N-[5-(1,3-benzothiazol-2-yl)-2-chloro-phenyl]-1H-1,2,4-triazole-5-carboxamide Formula: C16H10ClN5OS MolecularWeight: 355.8015

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=CC(=C(C=C3)Cl)NC(=O)C4=NC=NN4

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=CC(=C(C=C3)Cl)NC(=O)C4=NC=NN4

InChI

InChI=1S/C16H10ClN5OS/c17-10-6-5-9(16-21-11-3-1-2-4-13(11)24-16)7-12(10)20-15(23)14-18-8-19-22-14/h1-8H,(H,20,23)(H,18,19,22)