4-[[5-[(4-nitrophenyl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-2-amine

Systemtic Name: 4-[[5-[(4-nitrophenyl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-2-amine Openeye Name: 4-[[5-[(4-nitrophenyl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]thiazol-2-amine CAS Name: 4-[[[5-[(4-nitrophenyl)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]-2-thiazolamine IUPAC Name: 4-[[5-[(4-nitrophenyl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-2-amine Traditional Name: [4-[[[5-(4-nitrobenzyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]thiazol-2-yl]amine Formula: C19H16N6O2S2 MolecularWeight: 424.49934

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC3=CSC(=N3)N)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC3=CSC(=N3)N)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H16N6O2S2/c20-18-21-14(11-28-18)12-29-19-23-22-17(24(19)15-4-2-1-3-5-15)10-13-6-8-16(9-7-13)25(26)27/h1-9,11H,10,12H2,(H2,20,21)