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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)CSC3=NN=C(N3N)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)CSC3=NN=C(N3N)C

InChI

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