3-(naphthalen-1-ylmethyl)-5-[(1R)-1-(3-nitrophenyl)ethyl]sulfanyl-1,2,4-triazol-4-amine

Systemtic Name: 3-(naphthalen-1-ylmethyl)-5-[(1R)-1-(3-nitrophenyl)ethyl]sulfanyl-1,2,4-triazol-4-amine Openeye Name: 3-(1-naphthylmethyl)-5-[(1R)-1-(3-nitrophenyl)ethyl]sulfanyl-1,2,4-triazol-4-amine CAS Name: 3-(1-naphthalenylmethyl)-5-[[(1R)-1-(3-nitrophenyl)ethyl]thio]-1,2,4-triazol-4-amine IUPAC Name: 3-(naphthalen-1-ylmethyl)-5-[(1R)-1-(3-nitrophenyl)ethyl]sulfanyl-1,2,4-triazol-4-amine Traditional Name: [3-(1-naphthylmethyl)-5-[[(1R)-1-(3-nitrophenyl)ethyl]thio]-1,2,4-triazol-4-yl]amine Formula: C21H19N5O2S MolecularWeight: 405.47286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])SC2=NN=C(N2N)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

C[C@H](C1=CC(=CC=C1)[N+](=O)[O-])SC2=NN=C(N2N)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C21H19N5O2S/c1-14(16-8-5-10-18(12-16)26(27)28)29-21-24-23-20(25(21)22)13-17-9-4-7-15-6-2-3-11-19(15)17/h2-12,14H,13,22H2,1H3/t14-/m1/s1