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

Systemtic Name: 3-(3-ethoxyphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-(3-ethoxyphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-(3-ethoxyphenyl)-5-[(4-nitrophenyl)methylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-(3-ethoxyphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-m-phenetyl-5-[(4-nitrobenzyl)thio]-1,2,4-triazol-4-yl]amine Formula: C17H17N5O3S MolecularWeight: 371.41358

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C2=NN=C(N2N)SCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=CC(=C1)C2=NN=C(N2N)SCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H17N5O3S/c1-2-25-15-5-3-4-13(10-15)16-19-20-17(21(16)18)26-11-12-6-8-14(9-7-12)22(23)24/h3-10H,2,11,18H2,1H3