diethyl 2,3-dicyano-2,3-bis[4-(diethylcarbamothioylsulfanylmethyl)phenyl]butanedioate

Systemtic Name: diethyl 2,3-dicyano-2,3-bis[4-(diethylcarbamothioylsulfanylmethyl)phenyl]butanedioate Openeye Name: diethyl 2,3-dicyano-2,3-bis[4-(diethylcarbamothioylsulfanylmethyl)phenyl]butanedioate CAS Name: 2,3-dicyano-2,3-bis[4-[[[diethylamino(sulfanylidene)methyl]thio]methyl]phenyl]butanedioic acid diethyl ester IUPAC Name: diethyl 2,3-dicyano-2,3-bis[4-(diethylcarbamothioylsulfanylmethyl)phenyl]butanedioate Traditional Name: 2,3-dicyano-2,3-bis[4-[(diethylthiocarbamoylthio)methyl]phenyl]succinic acid diethyl ester Formula: C34H42N4O4S4 MolecularWeight: 698.98168

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)SCC1=CC=C(C=C1)C(C#N)(C(=O)OCC)C(C#N)(C2=CC=C(C=C2)CSC(=S)N(CC)CC)C(=O)OCC

Isomeric SMILES

CCN(CC)C(=S)SCC1=CC=C(C=C1)C(C#N)(C(=O)OCC)C(C#N)(C2=CC=C(C=C2)CSC(=S)N(CC)CC)C(=O)OCC

InChI

InChI=1S/C34H42N4O4S4/c1-7-37(8-2)31(43)45-21-25-13-17-27(18-14-25)33(23-35,29(39)41-11-5)34(24-36,30(40)42-12-6)28-19-15-26(16-20-28)22-46-32(44)38(9-3)10-4/h13-20H,7-12,21-22H2,1-6H3