methyl 2,4-dimethyl-5-[[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 2,4-dimethyl-5-[[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[oxo-[[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]amino]methyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[[5-(benzylthio)-1,3,4-thiadiazol-2-yl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C18H18N4O3S2 MolecularWeight: 402.49052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)NC2=NN=C(S2)SCC3=CC=CC=C3

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)NC2=NN=C(S2)SCC3=CC=CC=C3

InChI

InChI=1S/C18H18N4O3S2/c1-10-13(16(24)25-3)11(2)19-14(10)15(23)20-17-21-22-18(27-17)26-9-12-7-5-4-6-8-12/h4-8,19H,9H2,1-3H3,(H,20,21,23)