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

Systemtic Name: 2-[5-[(4-nitrophenyl)methylsulfonyl]-4-phenethyl-1,2,4-triazol-3-yl]ethanamine Openeye Name: 2-[5-[(4-nitrophenyl)methylsulfonyl]-4-phenethyl-1,2,4-triazol-3-yl]ethanamine CAS Name: 2-[5-[(4-nitrophenyl)methylsulfonyl]-4-phenethyl-1,2,4-triazol-3-yl]ethanamine IUPAC Name: 2-[5-[(4-nitrophenyl)methylsulfonyl]-4-phenethyl-1,2,4-triazol-3-yl]ethanamine Traditional Name: 2-[5-(4-nitrobenzyl)sulfonyl-4-phenethyl-1,2,4-triazol-3-yl]ethylamine Formula: C19H21N5O4S MolecularWeight: 415.46614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=NN=C2S(=O)(=O)CC3=CC=C(C=C3)[N+](=O)[O-])CCN

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=NN=C2S(=O)(=O)CC3=CC=C(C=C3)[N+](=O)[O-])CCN

InChI

InChI=1S/C19H21N5O4S/c20-12-10-18-21-22-19(23(18)13-11-15-4-2-1-3-5-15)29(27,28)14-16-6-8-17(9-7-16)24(25)26/h1-9H,10-14,20H2