N-[(Z)-1-[4-methoxy-3-(pyrimidin-2-ylsulfanylmethyl)phenyl]ethylideneamino]-3-nitro-aniline

Systemtic Name: N-[(Z)-1-[4-methoxy-3-(pyrimidin-2-ylsulfanylmethyl)phenyl]ethylideneamino]-3-nitro-aniline Openeye Name: N-[(Z)-1-[4-methoxy-3-(pyrimidin-2-ylsulfanylmethyl)phenyl]ethylideneamino]-3-nitro-aniline CAS Name: N-[(Z)-1-[4-methoxy-3-[(2-pyrimidinylthio)methyl]phenyl]ethylideneamino]-3-nitroaniline IUPAC Name: N-[(Z)-1-[4-methoxy-3-(pyrimidin-2-ylsulfanylmethyl)phenyl]ethylideneamino]-3-nitroaniline Traditional Name: [(Z)-1-[4-methoxy-3-[(2-pyrimidylthio)methyl]phenyl]ethylideneamino]-(3-nitrophenyl)amine Formula: C20H19N5O3S MolecularWeight: 409.46156

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC1=CC(=CC=C1)[N+](=O)[O-])C2=CC(=C(C=C2)OC)CSC3=NC=CC=N3

Isomeric SMILES

C/C(=N/NC1=CC(=CC=C1)[N+](=O)[O-])/C2=CC(=C(C=C2)OC)CSC3=NC=CC=N3

InChI

InChI=1S/C20H19N5O3S/c1-14(23-24-17-5-3-6-18(12-17)25(26)27)15-7-8-19(28-2)16(11-15)13-29-20-21-9-4-10-22-20/h3-12,24H,13H2,1-2H3/b23-14-