N-[(E)-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]methylideneamino]-4-nitro-aniline

Systemtic Name: N-[(E)-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]methylideneamino]-4-nitro-aniline Openeye Name: N-[(E)-[4-methoxy-3-(2-pyridylsulfanylmethyl)phenyl]methyleneamino]-4-nitro-aniline CAS Name: N-[(E)-[4-methoxy-3-[(2-pyridinylthio)methyl]phenyl]methylideneamino]-4-nitroaniline IUPAC Name: N-[(E)-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]methylideneamino]-4-nitroaniline Traditional Name: [(E)-[4-methoxy-3-[(2-pyridylthio)methyl]benzylidene]amino]-(4-nitrophenyl)amine Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=NNC2=CC=C(C=C2)[N+](=O)[O-])CSC3=CC=CC=N3

Isomeric SMILES

COC1=C(C=C(C=C1)/C=N/NC2=CC=C(C=C2)[N+](=O)[O-])CSC3=CC=CC=N3

InChI

InChI=1S/C20H18N4O3S/c1-27-19-10-5-15(12-16(19)14-28-20-4-2-3-11-21-20)13-22-23-17-6-8-18(9-7-17)24(25)26/h2-13,23H,14H2,1H3/b22-13+