methyl 2-[(1,3-diphenylpyrazol-4-yl)methylcarbamothioylamino]-5-ethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[(1,3-diphenylpyrazol-4-yl)methylcarbamothioylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(1,3-diphenylpyrazol-4-yl)methylcarbamothioylamino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[[(1,3-diphenyl-4-pyrazolyl)methylamino]-sulfanylidenemethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(1,3-diphenylpyrazol-4-yl)methylcarbamothioylamino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[(1,3-diphenylpyrazol-4-yl)methylthiocarbamoylamino]-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C25H24N4O2S2 MolecularWeight: 476.61366

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C25H24N4O2S2/c1-3-20-14-21(24(30)31-2)23(33-20)27-25(32)26-15-18-16-29(19-12-8-5-9-13-19)28-22(18)17-10-6-4-7-11-17/h4-14,16H,3,15H2,1-2H3,(H2,26,27,32)