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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)CSC4=NC=NN4

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)CSC4=NC=NN4

InChI

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