3-[(4-nitrophenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-amine

Systemtic Name: 3-[(4-nitrophenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-amine Openeye Name: 3-[(4-nitrophenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-amine CAS Name: 3-[(4-nitrophenyl)methylthio]-5-propyl-1,2,4-triazol-4-amine IUPAC Name: 3-[(4-nitrophenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-amine Traditional Name: [3-[(4-nitrobenzyl)thio]-5-propyl-1,2,4-triazol-4-yl]amine Formula: C12H15N5O2S MolecularWeight: 293.3448

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1N)SCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCC1=NN=C(N1N)SCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H15N5O2S/c1-2-3-11-14-15-12(16(11)13)20-8-9-4-6-10(7-5-9)17(18)19/h4-7H,2-3,8,13H2,1H3