N-[[3-(3-chlorophenyl)-3-methyl-4-phenylsulfanyl-butan-2-ylidene]amino]-2,4-dinitro-aniline

Systemtic Name: N-[[3-(3-chlorophenyl)-3-methyl-4-phenylsulfanyl-butan-2-ylidene]amino]-2,4-dinitro-aniline Openeye Name: N-[[2-(3-chlorophenyl)-1,2-dimethyl-3-phenylsulfanyl-propylidene]amino]-2,4-dinitro-aniline CAS Name: N-[[3-(3-chlorophenyl)-3-methyl-4-(phenylthio)butan-2-ylidene]amino]-2,4-dinitroaniline IUPAC Name: N-[[3-(3-chlorophenyl)-3-methyl-4-phenylsulfanylbutan-2-ylidene]amino]-2,4-dinitroaniline Traditional Name: [[2-(3-chlorophenyl)-1,2-dimethyl-3-(phenylthio)propylidene]amino]-(2,4-dinitrophenyl)amine Formula: C23H21ClN4O4S MolecularWeight: 484.95524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])C(C)(CSC2=CC=CC=C2)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC(=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])C(C)(CSC2=CC=CC=C2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C23H21ClN4O4S/c1-16(25-26-21-12-11-19(27(29)30)14-22(21)28(31)32)23(2,17-7-6-8-18(24)13-17)15-33-20-9-4-3-5-10-20/h3-14,26H,15H2,1-2H3