3-[4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]aniline

Systemtic Name: 3-[4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]aniline Openeye Name: 3-[4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]aniline CAS Name: 3-[4-methyl-5-[(4-nitrophenyl)methylthio]-1,2,4-triazol-3-yl]aniline IUPAC Name: 3-[4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]aniline Traditional Name: [3-[4-methyl-5-[(4-nitrobenzyl)thio]-1,2,4-triazol-3-yl]phenyl]amine Formula: C16H15N5O2S MolecularWeight: 341.3876

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])C3=CC(=CC=C3)N

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])C3=CC(=CC=C3)N

InChI

InChI=1S/C16H15N5O2S/c1-20-15(12-3-2-4-13(17)9-12)18-19-16(20)24-10-11-5-7-14(8-6-11)21(22)23/h2-9H,10,17H2,1H3