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

Systemtic Name: N-[(3-methyl-3-phenyl-4-phenylsulfanyl-butan-2-ylidene)amino]-2,4-dinitro-aniline Openeye Name: N-[(1,2-dimethyl-2-phenyl-3-phenylsulfanyl-propylidene)amino]-2,4-dinitro-aniline CAS Name: N-[[3-methyl-3-phenyl-4-(phenylthio)butan-2-ylidene]amino]-2,4-dinitroaniline IUPAC Name: N-[(3-methyl-3-phenyl-4-phenylsulfanylbutan-2-ylidene)amino]-2,4-dinitroaniline Traditional Name: [[1,2-dimethyl-2-phenyl-3-(phenylthio)propylidene]amino]-(2,4-dinitrophenyl)amine Formula: C23H22N4O4S MolecularWeight: 450.51018

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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

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

InChI

InChI=1S/C23H22N4O4S/c1-17(24-25-21-14-13-19(26(28)29)15-22(21)27(30)31)23(2,18-9-5-3-6-10-18)16-32-20-11-7-4-8-12-20/h3-15,25H,16H2,1-2H3