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

Systemtic Name: N-[(Z)-1-[4-methoxy-3-(pyrimidin-2-ylsulfanylmethyl)phenyl]ethylideneamino]-2-nitro-aniline Openeye Name: N-[(Z)-1-[4-methoxy-3-(pyrimidin-2-ylsulfanylmethyl)phenyl]ethylideneamino]-2-nitro-aniline CAS Name: N-[(Z)-1-[4-methoxy-3-[(2-pyrimidinylthio)methyl]phenyl]ethylideneamino]-2-nitroaniline IUPAC Name: N-[(Z)-1-[4-methoxy-3-(pyrimidin-2-ylsulfanylmethyl)phenyl]ethylideneamino]-2-nitroaniline Traditional Name: [(Z)-1-[4-methoxy-3-[(2-pyrimidylthio)methyl]phenyl]ethylideneamino]-(2-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(23-24-17-6-3-4-7-18(17)25(26)27)15-8-9-19(28-2)16(12-15)13-29-20-21-10-5-11-22-20/h3-12,24H,13H2,1-2H3/b23-14-