ethyl 3,4-diphenyl-5-(phenylcarbamothioylamino)thieno[2,3-c]pyridazine-6-carboxylate

Systemtic Name: ethyl 3,4-diphenyl-5-(phenylcarbamothioylamino)thieno[2,3-c]pyridazine-6-carboxylate Openeye Name: ethyl 3,4-diphenyl-5-(phenylcarbamothioylamino)thieno[2,3-c]pyridazine-6-carboxylate CAS Name: 5-[[anilino(sulfanylidene)methyl]amino]-3,4-diphenyl-6-thieno[2,3-c]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 3,4-diphenyl-5-(phenylcarbamothioylamino)thieno[2,3-c]pyridazine-6-carboxylate Traditional Name: 3,4-diphenyl-5-(phenylthiocarbamoylamino)thieno[2,3-c]pyridazine-6-carboxylic acid ethyl ester Formula: C28H22N4O2S2 MolecularWeight: 510.62988

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C(=NN=C2S1)C3=CC=CC=C3)C4=CC=CC=C4)NC(=S)NC5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C(=NN=C2S1)C3=CC=CC=C3)C4=CC=CC=C4)NC(=S)NC5=CC=CC=C5

InChI

InChI=1S/C28H22N4O2S2/c1-2-34-27(33)25-24(30-28(35)29-20-16-10-5-11-17-20)22-21(18-12-6-3-7-13-18)23(31-32-26(22)36-25)19-14-8-4-9-15-19/h3-17H,2H2,1H3,(H2,29,30,35)