ethyl 2-[2-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-5-ethyl-4-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-5-ethyl-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-5-ethyl-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-5-ethyl-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-5-ethyl-4-methylthiophene-3-carboxylate Traditional Name: 2-[[2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]acetyl]amino]-5-ethyl-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C17H23N5O3S2 MolecularWeight: 409.52622

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(S1)NC(=O)CSC2=NN=C(N2N)C3CC3)C(=O)OCC)C

Isomeric SMILES

CCC1=C(C(=C(S1)NC(=O)CSC2=NN=C(N2N)C3CC3)C(=O)OCC)C

InChI

InChI=1S/C17H23N5O3S2/c1-4-11-9(3)13(16(24)25-5-2)15(27-11)19-12(23)8-26-17-21-20-14(22(17)18)10-6-7-10/h10H,4-8,18H2,1-3H3,(H,19,23)