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

Systemtic Name: 2-[5-[(3-nitrophenyl)methylsulfonyl]-4-(phenylmethyl)-1,2,4-triazol-3-yl]ethanamine Openeye Name: 2-[4-benzyl-5-[(3-nitrophenyl)methylsulfonyl]-1,2,4-triazol-3-yl]ethanamine CAS Name: 2-[5-[(3-nitrophenyl)methylsulfonyl]-4-(phenylmethyl)-1,2,4-triazol-3-yl]ethanamine IUPAC Name: 2-[4-benzyl-5-[(3-nitrophenyl)methylsulfonyl]-1,2,4-triazol-3-yl]ethanamine Traditional Name: 2-[4-benzyl-5-(3-nitrobenzyl)sulfonyl-1,2,4-triazol-3-yl]ethylamine Formula: C18H19N5O4S MolecularWeight: 401.43956

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2S(=O)(=O)CC3=CC(=CC=C3)[N+](=O)[O-])CCN

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2S(=O)(=O)CC3=CC(=CC=C3)[N+](=O)[O-])CCN

InChI

InChI=1S/C18H19N5O4S/c19-10-9-17-20-21-18(22(17)12-14-5-2-1-3-6-14)28(26,27)13-15-7-4-8-16(11-15)23(24)25/h1-8,11H,9-10,12-13,19H2