methyl 4-[[5-[(2-phenylsulfanylpyridin-3-yl)carbonylamino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[5-[(2-phenylsulfanylpyridin-3-yl)carbonylamino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[5-[(2-phenylsulfanylpyridine-3-carbonyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[5-[[oxo-[2-(phenylthio)-3-pyridinyl]methyl]amino]-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-[(2-phenylsulfanylpyridine-3-carbonyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[5-[[2-(phenylthio)nicotinoyl]amino]-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid methyl ester Formula: C23H18N4O3S3 MolecularWeight: 494.60902

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C23H18N4O3S3/c1-30-21(29)16-11-9-15(10-12-16)14-31-23-27-26-22(33-23)25-19(28)18-8-5-13-24-20(18)32-17-6-3-2-4-7-17/h2-13H,14H2,1H3,(H,25,26,28)