S-azanyl 4,5-bis[4-(diethylamino)-2-methyl-phenyl]-2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-1H-imidazole-3-carbothioate

Systemtic Name: S-azanyl 4,5-bis[4-(diethylamino)-2-methyl-phenyl]-2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-1H-imidazole-3-carbothioate Openeye Name: S-amino 4,5-bis[4-(diethylamino)-2-methyl-phenyl]-2-(4-oxocyclohexa-2,5-dien-1-ylidene)-1H-imidazole-3-carbothioate CAS Name: 4,5-bis[4-(diethylamino)-2-methylphenyl]-2-(4-oxo-1-cyclohexa-2,5-dienylidene)-1H-imidazole-3-carbothioic acid S-amino ester IUPAC Name: S-amino 4,5-bis[4-(diethylamino)-2-methylphenyl]-2-(4-oxocyclohexa-2,5-dien-1-ylidene)-1H-imidazole-3-carbothioate Traditional Name: 4,5-bis[4-(diethylamino)-2-methyl-phenyl]-2-(4-ketocyclohexa-2,5-dien-1-ylidene)-4-imidazoline-1-carbothioic acid S-amino ester Formula: C32H39N5O2S MolecularWeight: 557.74936

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)C2=C(N(C(=C3C=CC(=O)C=C3)N2)C(=O)SN)C4=C(C=C(C=C4)N(CC)CC)C)C

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1)C2=C(N(C(=C3C=CC(=O)C=C3)N2)C(=O)SN)C4=C(C=C(C=C4)N(CC)CC)C)C

InChI

InChI=1S/C32H39N5O2S/c1-7-35(8-2)24-13-17-27(21(5)19-24)29-30(28-18-14-25(20-22(28)6)36(9-3)10-4)37(32(39)40-33)31(34-29)23-11-15-26(38)16-12-23/h11-20,34H,7-10,33H2,1-6H3