[5-[(4-ethylphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methyl 5-methylpyrazine-2-carboxylate

Systemtic Name: [5-[(4-ethylphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methyl 5-methylpyrazine-2-carboxylate Openeye Name: [5-[(4-ethylphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methyl 5-methylpyrazine-2-carboxylate CAS Name: 5-methyl-2-pyrazinecarboxylic acid [5-[(4-ethylanilino)-oxomethyl]-1,3,4-thiadiazol-2-yl]methyl ester IUPAC Name: [5-[(4-ethylphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methyl 5-methylpyrazine-2-carboxylate Traditional Name: 5-methylpyrazinic acid [5-[(4-ethylphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methyl ester Formula: C18H17N5O3S MolecularWeight: 383.42428

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C2=NN=C(S2)COC(=O)C3=CN=C(C=N3)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C2=NN=C(S2)COC(=O)C3=CN=C(C=N3)C

InChI

InChI=1S/C18H17N5O3S/c1-3-12-4-6-13(7-5-12)21-16(24)17-23-22-15(27-17)10-26-18(25)14-9-19-11(2)8-20-14/h4-9H,3,10H2,1-2H3,(H,21,24)