methyl 2-[[3-[(4-chloranylpyrazol-1-yl)methyl]phenyl]carbamothioylamino]-5-ethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[3-[(4-chloranylpyrazol-1-yl)methyl]phenyl]carbamothioylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[3-[(4-chloropyrazol-1-yl)methyl]phenyl]carbamothioylamino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[[3-[(4-chloro-1-pyrazolyl)methyl]anilino]-sulfanylidenemethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[3-[(4-chloropyrazol-1-yl)methyl]phenyl]carbamothioylamino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[[3-[(4-chloropyrazol-1-yl)methyl]phenyl]thiocarbamoylamino]-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C19H19ClN4O2S2 MolecularWeight: 434.96276

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NC2=CC=CC(=C2)CN3C=C(C=N3)Cl)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NC2=CC=CC(=C2)CN3C=C(C=N3)Cl)C(=O)OC

InChI

InChI=1S/C19H19ClN4O2S2/c1-3-15-8-16(18(25)26-2)17(28-15)23-19(27)22-14-6-4-5-12(7-14)10-24-11-13(20)9-21-24/h4-9,11H,3,10H2,1-2H3,(H2,22,23,27)