5-[(2-chlorophenyl)methylsulfanyl]-4-[(4-nitrophenyl)methyl]-1,2,4-triazol-3-amine

Systemtic Name: 5-[(2-chlorophenyl)methylsulfanyl]-4-[(4-nitrophenyl)methyl]-1,2,4-triazol-3-amine Openeye Name: 5-[(2-chlorophenyl)methylsulfanyl]-4-[(4-nitrophenyl)methyl]-1,2,4-triazol-3-amine CAS Name: 5-[(2-chlorophenyl)methylthio]-4-[(4-nitrophenyl)methyl]-1,2,4-triazol-3-amine IUPAC Name: 5-[(2-chlorophenyl)methylsulfanyl]-4-[(4-nitrophenyl)methyl]-1,2,4-triazol-3-amine Traditional Name: [5-[(2-chlorobenzyl)thio]-4-(4-nitrobenzyl)-1,2,4-triazol-3-yl]amine Formula: C16H14ClN5O2S MolecularWeight: 375.83266

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=NN=C(N2CC3=CC=C(C=C3)[N+](=O)[O-])N)Cl

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NN=C(N2CC3=CC=C(C=C3)[N+](=O)[O-])N)Cl

InChI

InChI=1S/C16H14ClN5O2S/c17-14-4-2-1-3-12(14)10-25-16-20-19-15(18)21(16)9-11-5-7-13(8-6-11)22(23)24/h1-8H,9-10H2,(H2,18,19)