methyl 3-[[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]carbamoyl]benzoate

Systemtic Name: methyl 3-[[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]carbamoyl]benzoate Openeye Name: methyl 3-[[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]carbamoyl]benzoate CAS Name: 3-[[[5-[(4-cyanophenyl)methylthio]-1,3,4-thiadiazol-2-yl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]carbamoyl]benzoate Traditional Name: 3-[[5-[(4-cyanobenzyl)thio]-1,3,4-thiadiazol-2-yl]carbamoyl]benzoic acid methyl ester Formula: C19H14N4O3S2 MolecularWeight: 410.46946

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)C#N

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C19H14N4O3S2/c1-26-17(25)15-4-2-3-14(9-15)16(24)21-18-22-23-19(28-18)27-11-13-7-5-12(10-20)6-8-13/h2-9H,11H2,1H3,(H,21,22,24)