2-[3-[(3-nitrophenyl)methylsulfanyl]-5-phenyl-1,2,4-triazol-4-yl]ethanamine

Systemtic Name: 2-[3-[(3-nitrophenyl)methylsulfanyl]-5-phenyl-1,2,4-triazol-4-yl]ethanamine Openeye Name: 2-[3-[(3-nitrophenyl)methylsulfanyl]-5-phenyl-1,2,4-triazol-4-yl]ethanamine CAS Name: 2-[3-[(3-nitrophenyl)methylthio]-5-phenyl-1,2,4-triazol-4-yl]ethanamine IUPAC Name: 2-[3-[(3-nitrophenyl)methylsulfanyl]-5-phenyl-1,2,4-triazol-4-yl]ethanamine Traditional Name: 2-[3-[(3-nitrobenzyl)thio]-5-phenyl-1,2,4-triazol-4-yl]ethylamine Formula: C17H17N5O2S MolecularWeight: 355.41418

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(N2CCN)SCC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(N2CCN)SCC3=CC(=CC=C3)[N+](=O)[O-]

InChI

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