ethyl 2-[[5-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)carbonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate

Systemtic Name: ethyl 2-[[5-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)carbonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[5-[[1-phenyl-3-(2-thienyl)pyrazole-4-carbonyl]amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[5-[[oxo-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methyl]amino]-1,3,4-thiadiazol-2-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[5-[[1-phenyl-3-(2-thienyl)pyrazole-4-carbonyl]amino]-1,3,4-thiadiazol-2-yl]thio]acetic acid ethyl ester Formula: C20H17N5O3S3 MolecularWeight: 471.57568

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NN=C(S1)NC(=O)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CSC1=NN=C(S1)NC(=O)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C20H17N5O3S3/c1-2-28-16(26)12-30-20-23-22-19(31-20)21-18(27)14-11-25(13-7-4-3-5-8-13)24-17(14)15-9-6-10-29-15/h3-11H,2,12H2,1H3,(H,21,22,27)