methyl 5-methyl-4-phenyl-2-[(4-phenyldiazenylphenyl)carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-methyl-4-phenyl-2-[(4-phenyldiazenylphenyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-methyl-4-phenyl-2-[(4-phenylazophenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-methyl-4-phenyl-2-[[(4-phenyldiazenylanilino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-4-phenyl-2-[(4-phenyldiazenylphenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-methyl-4-phenyl-2-[(4-phenylazophenyl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C26H22N4O2S2 MolecularWeight: 486.60848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)NC2=CC=C(C=C2)N=NC3=CC=CC=C3)C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)NC2=CC=C(C=C2)N=NC3=CC=CC=C3)C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C26H22N4O2S2/c1-17-22(18-9-5-3-6-10-18)23(25(31)32-2)24(34-17)28-26(33)27-19-13-15-21(16-14-19)30-29-20-11-7-4-8-12-20/h3-16H,1-2H3,(H2,27,28,33)