ethyl 2-azanyl-4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-(methylcarbamoyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-azanyl-4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-(methylcarbamoyl)thiophene-3-carboxylate Openeye Name: ethyl 2-amino-4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-(methylcarbamoyl)thiophene-3-carboxylate CAS Name: 2-amino-4-[[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]methyl]-5-(methylcarbamoyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-(methylcarbamoyl)thiophene-3-carboxylate Traditional Name: 2-amino-4-[[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]methyl]-5-(methylcarbamoyl)thiophene-3-carboxylic acid ethyl ester Formula: C18H23N5O3S2 MolecularWeight: 421.53692

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1CSC2=NN=C(N2C3CC3)C4CC4)C(=O)NC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1CSC2=NN=C(N2C3CC3)C4CC4)C(=O)NC)N

InChI

InChI=1S/C18H23N5O3S2/c1-3-26-17(25)12-11(13(16(24)20-2)28-14(12)19)8-27-18-22-21-15(9-4-5-9)23(18)10-6-7-10/h9-10H,3-8,19H2,1-2H3,(H,20,24)