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

Systemtic Name: N-[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-1H-1,2,4-triazol-3-yl]benzamide Openeye Name: N-[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-1H-1,2,4-triazol-3-yl]benzamide CAS Name: N-[5-[(1,3-benzothiazol-2-ylthio)methyl]-1H-1,2,4-triazol-3-yl]benzamide IUPAC Name: N-[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-1H-1,2,4-triazol-3-yl]benzamide Traditional Name: N-[5-[(1,3-benzothiazol-2-ylthio)methyl]-1H-1,2,4-triazol-3-yl]benzamide Formula: C17H13N5OS2 MolecularWeight: 367.44802

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=NNC(=N2)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=NNC(=N2)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C17H13N5OS2/c23-15(11-6-2-1-3-7-11)20-16-19-14(21-22-16)10-24-17-18-12-8-4-5-9-13(12)25-17/h1-9H,10H2,(H2,19,20,21,22,23)