ethyl 2-[2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-oxopropyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]propanoylamino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C18H19N5O3S2 MolecularWeight: 417.50516

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)C(C)SC3=NNC(=N3)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)C(C)SC3=NNC(=N3)N

InChI

InChI=1S/C18H19N5O3S2/c1-3-26-16(25)12-9-13(11-7-5-4-6-8-11)28-15(12)20-14(24)10(2)27-18-21-17(19)22-23-18/h4-10H,3H2,1-2H3,(H,20,24)(H3,19,21,22,23)