methyl 4-[[5-(3H-benzimidazol-5-ylcarbonylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[5-(3H-benzimidazol-5-ylcarbonylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[5-(3H-benzimidazole-5-carbonylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[5-[[3H-benzimidazol-5-yl(oxo)methyl]amino]-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-(3H-benzimidazole-5-carbonylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[5-(3H-benzimidazole-5-carbonylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid methyl ester Formula: C19H15N5O3S2 MolecularWeight: 425.4841

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)C3=CC4=C(C=C3)N=CN4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)C3=CC4=C(C=C3)N=CN4

InChI

InChI=1S/C19H15N5O3S2/c1-27-17(26)12-4-2-11(3-5-12)9-28-19-24-23-18(29-19)22-16(25)13-6-7-14-15(8-13)21-10-20-14/h2-8,10H,9H2,1H3,(H,20,21)(H,22,23,25)