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

Systemtic Name: 3-(3-methoxyphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-(3-methoxyphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-(3-methoxyphenyl)-5-[(4-nitrophenyl)methylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-(3-methoxyphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-(3-methoxyphenyl)-5-[(4-nitrobenzyl)thio]-1,2,4-triazol-4-yl]amine Formula: C16H15N5O3S MolecularWeight: 357.387

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN=C(N2N)SCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN=C(N2N)SCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H15N5O3S/c1-24-14-4-2-3-12(9-14)15-18-19-16(20(15)17)25-10-11-5-7-13(8-6-11)21(22)23/h2-9H,10,17H2,1H3