N-[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-1H-1,2,4-triazol-3-yl]-4-chloranyl-benzamide

Systemtic Name: N-[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-1H-1,2,4-triazol-3-yl]-4-chloranyl-benzamide Openeye Name: N-[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-1H-1,2,4-triazol-3-yl]-4-chloro-benzamide CAS Name: N-[5-[(1,3-benzothiazol-2-ylthio)methyl]-1H-1,2,4-triazol-3-yl]-4-chlorobenzamide IUPAC Name: N-[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-1H-1,2,4-triazol-3-yl]-4-chlorobenzamide Traditional Name: N-[5-[(1,3-benzothiazol-2-ylthio)methyl]-1H-1,2,4-triazol-3-yl]-4-chloro-benzamide Formula: C17H12ClN5OS2 MolecularWeight: 401.89308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCC3=NC(=NN3)NC(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCC3=NC(=NN3)NC(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C17H12ClN5OS2/c18-11-7-5-10(6-8-11)15(24)21-16-20-14(22-23-16)9-25-17-19-12-3-1-2-4-13(12)26-17/h1-8H,9H2,(H2,20,21,22,23,24)