N-[(E)-[4-[(4-methoxyphenyl)methylsulfanyl]isothiochromen-6-ylidene]amino]-2,4-dinitro-aniline

Systemtic Name: N-[(E)-[4-[(4-methoxyphenyl)methylsulfanyl]isothiochromen-6-ylidene]amino]-2,4-dinitro-aniline Openeye Name: N-[(E)-[4-[(4-methoxyphenyl)methylsulfanyl]isothiochromen-6-ylidene]amino]-2,4-dinitro-aniline CAS Name: N-[(E)-[4-[(4-methoxyphenyl)methylthio]-2-benzothiopyran-6-ylidene]amino]-2,4-dinitroaniline IUPAC Name: N-[(E)-[4-[(4-methoxyphenyl)methylsulfanyl]isothiochromen-6-ylidene]amino]-2,4-dinitroaniline Traditional Name: (2,4-dinitrophenyl)-[(E)-[4-(p-anisylthio)isothiochromen-6-ylidene]amino]amine Formula: C23H18N4O5S2 MolecularWeight: 494.54282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSC2=CSC=C3C2=CC(=NNC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])C=C3

Isomeric SMILES

COC1=CC=C(C=C1)CSC2=CSC=C3C2=C/C(=N/NC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])/C=C3

InChI

InChI=1S/C23H18N4O5S2/c1-32-19-7-2-15(3-8-19)12-34-23-14-33-13-16-4-5-17(10-20(16)23)24-25-21-9-6-18(26(28)29)11-22(21)27(30)31/h2-11,13-14,25H,12H2,1H3/b24-17+