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

Systemtic Name: 2-[5-[(4-nitrophenyl)methylsulfanyl]-4-phenethyl-1,2,4-triazol-3-yl]ethanamine Openeye Name: 2-[5-[(4-nitrophenyl)methylsulfanyl]-4-phenethyl-1,2,4-triazol-3-yl]ethanamine CAS Name: 2-[5-[(4-nitrophenyl)methylthio]-4-phenethyl-1,2,4-triazol-3-yl]ethanamine IUPAC Name: 2-[5-[(4-nitrophenyl)methylsulfanyl]-4-phenethyl-1,2,4-triazol-3-yl]ethanamine Traditional Name: 2-[5-[(4-nitrobenzyl)thio]-4-phenethyl-1,2,4-triazol-3-yl]ethylamine Formula: C19H21N5O2S MolecularWeight: 383.46734

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=NN=C2SCC3=CC=C(C=C3)[N+](=O)[O-])CCN

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=NN=C2SCC3=CC=C(C=C3)[N+](=O)[O-])CCN

InChI

InChI=1S/C19H21N5O2S/c20-12-10-18-21-22-19(23(18)13-11-15-4-2-1-3-5-15)27-14-16-6-8-17(9-7-16)24(25)26/h1-9H,10-14,20H2