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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1N)SCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=NN=C(N1N)SCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H15N5O2S/c1-8(2)11-14-15-12(16(11)13)20-7-9-3-5-10(6-4-9)17(18)19/h3-6,8H,7,13H2,1-2H3