4-chloranyl-N-(3-imidazol-1-ylpropyl)-5-methylsulfanyl-2-nitro-aniline

Systemtic Name: 4-chloranyl-N-(3-imidazol-1-ylpropyl)-5-methylsulfanyl-2-nitro-aniline Openeye Name: 4-chloro-N-(3-imidazol-1-ylpropyl)-5-methylsulfanyl-2-nitro-aniline CAS Name: 4-chloro-N-[3-(1-imidazolyl)propyl]-5-(methylthio)-2-nitroaniline IUPAC Name: 4-chloro-N-(3-imidazol-1-ylpropyl)-5-methylsulfanyl-2-nitroaniline Traditional Name: [4-chloro-5-(methylthio)-2-nitro-phenyl]-(3-imidazol-1-ylpropyl)amine Formula: C13H15ClN4O2S MolecularWeight: 326.8018

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C(=C1)NCCCN2C=CN=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CSC1=C(C=C(C(=C1)NCCCN2C=CN=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H15ClN4O2S/c1-21-13-8-11(12(18(19)20)7-10(13)14)16-3-2-5-17-6-4-15-9-17/h4,6-9,16H,2-3,5H2,1H3