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

Systemtic Name: ethyl 2-[2-[(4-azanyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[[4-amino-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-[[4-amino-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H19N5O3S3 MolecularWeight: 485.60226

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)CSC3=NN=C(N3N)C4=CC=CS4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)CSC3=NN=C(N3N)C4=CC=CS4

InChI

InChI=1S/C21H19N5O3S3/c1-2-29-20(28)14-11-16(13-7-4-3-5-8-13)32-19(14)23-17(27)12-31-21-25-24-18(26(21)22)15-9-6-10-30-15/h3-11H,2,12,22H2,1H3,(H,23,27)