2-chloranyl-N-[3-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propyl]-4-nitro-aniline

Systemtic Name: 2-chloranyl-N-[3-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propyl]-4-nitro-aniline Openeye Name: 2-chloro-N-[3-(4-isobutyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-4-nitro-aniline CAS Name: 2-chloro-N-[3-[4-(2-methylpropyl)-5-(methylthio)-1,2,4-triazol-3-yl]propyl]-4-nitroaniline IUPAC Name: 2-chloro-N-[3-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propyl]-4-nitroaniline Traditional Name: (2-chloro-4-nitro-phenyl)-[3-[4-isobutyl-5-(methylthio)-1,2,4-triazol-3-yl]propyl]amine Formula: C16H22ClN5O2S MolecularWeight: 383.89618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NN=C1SC)CCCNC2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)CN1C(=NN=C1SC)CCCNC2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H22ClN5O2S/c1-11(2)10-21-15(19-20-16(21)25-3)5-4-8-18-14-7-6-12(22(23)24)9-13(14)17/h6-7,9,11,18H,4-5,8,10H2,1-3H3