4-[(4-nitrophenyl)methyl]-5-phenethylsulfanyl-1,2,4-triazol-3-amine

Systemtic Name: 4-[(4-nitrophenyl)methyl]-5-phenethylsulfanyl-1,2,4-triazol-3-amine Openeye Name: 4-[(4-nitrophenyl)methyl]-5-phenethylsulfanyl-1,2,4-triazol-3-amine CAS Name: 4-[(4-nitrophenyl)methyl]-5-(phenethylthio)-1,2,4-triazol-3-amine IUPAC Name: 4-[(4-nitrophenyl)methyl]-5-phenethylsulfanyl-1,2,4-triazol-3-amine Traditional Name: [4-(4-nitrobenzyl)-5-(phenethylthio)-1,2,4-triazol-3-yl]amine Formula: C17H17N5O2S MolecularWeight: 355.41418

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCSC2=NN=C(N2CC3=CC=C(C=C3)[N+](=O)[O-])N

Isomeric SMILES

C1=CC=C(C=C1)CCSC2=NN=C(N2CC3=CC=C(C=C3)[N+](=O)[O-])N

InChI

InChI=1S/C17H17N5O2S/c18-16-19-20-17(25-11-10-13-4-2-1-3-5-13)21(16)12-14-6-8-15(9-7-14)22(23)24/h1-9H,10-12H2,(H2,18,19)