3-chloranyl-4-methyl-N-[(E)-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)methylideneamino]aniline

Systemtic Name: 3-chloranyl-4-methyl-N-[(E)-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)methylideneamino]aniline Openeye Name: 3-chloro-4-methyl-N-[(E)-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)methyleneamino]aniline CAS Name: 3-chloro-4-methyl-N-[(E)-[3-nitro-4-(2-pyrimidinylthio)phenyl]methylideneamino]aniline IUPAC Name: 3-chloro-4-methyl-N-[(E)-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)methylideneamino]aniline Traditional Name: (3-chloro-4-methyl-phenyl)-[(E)-[3-nitro-4-(2-pyrimidylthio)benzylidene]amino]amine Formula: C18H14ClN5O2S MolecularWeight: 399.85406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NN=CC2=CC(=C(C=C2)SC3=NC=CC=N3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N/N=C/C2=CC(=C(C=C2)SC3=NC=CC=N3)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H14ClN5O2S/c1-12-3-5-14(10-15(12)19)23-22-11-13-4-6-17(16(9-13)24(25)26)27-18-20-7-2-8-21-18/h2-11,23H,1H3/b22-11+