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

Systemtic Name: ethyl 2-[2-[(4-azanyl-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-5-ethyl-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-5-ethyl-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(4-amino-5-tert-butyl-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-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-5-ethyl-4-methylthiophene-3-carboxylate Traditional Name: 2-[[2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)thio]acetyl]amino]-5-ethyl-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C18H27N5O3S2 MolecularWeight: 425.56868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N5O3S2/c1-7-11-10(3)13(15(25)26-8-2)14(28-11)20-12(24)9-27-17-22-21-16(23(17)19)18(4,5)6/h7-9,19H2,1-6H3,(H,20,24)