3-(2-chlorophenyl)-5-[2-(3-nitrophenoxy)ethylsulfanyl]-1,2,4-triazol-4-amine

Systemtic Name: 3-(2-chlorophenyl)-5-[2-(3-nitrophenoxy)ethylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-(2-chlorophenyl)-5-[2-(3-nitrophenoxy)ethylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-(2-chlorophenyl)-5-[2-(3-nitrophenoxy)ethylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-(2-chlorophenyl)-5-[2-(3-nitrophenoxy)ethylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-(2-chlorophenyl)-5-[2-(3-nitrophenoxy)ethylthio]-1,2,4-triazol-4-yl]amine Formula: C16H14ClN5O3S MolecularWeight: 391.83206

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NN=C(N2N)SCCOC3=CC=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C(=C1)C2=NN=C(N2N)SCCOC3=CC=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H14ClN5O3S/c17-14-7-2-1-6-13(14)15-19-20-16(21(15)18)26-9-8-25-12-5-3-4-11(10-12)22(23)24/h1-7,10H,8-9,18H2