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

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate CAS Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate Traditional Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate Formula: C17H12N5OS2- MolecularWeight: 366.44008

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCC3=CC=C(C=C3)C(=NC4=NC=NN4)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCC3=CC=C(C=C3)C(=NC4=NC=NN4)[O-]

InChI

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