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

Systemtic Name: methyl 4-[[5-(pyrazin-2-ylcarbonylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[5-(pyrazine-2-carbonylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[5-[[oxo(2-pyrazinyl)methyl]amino]-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-(pyrazine-2-carbonylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[5-(pyrazinoylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid methyl ester Formula: C16H13N5O3S2 MolecularWeight: 387.43612

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)C3=NC=CN=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)C3=NC=CN=C3

InChI

InChI=1S/C16H13N5O3S2/c1-24-14(23)11-4-2-10(3-5-11)9-25-16-21-20-15(26-16)19-13(22)12-8-17-6-7-18-12/h2-8H,9H2,1H3,(H,19,20,22)