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

Systemtic Name: methyl 2-[3-(4-chloranylpyrazol-1-yl)propylcarbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[3-(4-chloropyrazol-1-yl)propylcarbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[3-(4-chloro-1-pyrazolyl)propylamino]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[3-(4-chloropyrazol-1-yl)propylcarbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[3-(4-chloropyrazol-1-yl)propylthiocarbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C20H21ClN4O2S2 MolecularWeight: 448.98934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)NCCCN2C=C(C=N2)Cl)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)NCCCN2C=C(C=N2)Cl)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C20H21ClN4O2S2/c1-13-16(14-7-4-3-5-8-14)17(19(26)27-2)18(29-13)24-20(28)22-9-6-10-25-12-15(21)11-23-25/h3-5,7-8,11-12H,6,9-10H2,1-2H3,(H2,22,24,28)