3-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-5-(4-methylphenyl)-1,2,4-triazol-4-amine

Systemtic Name: 3-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-5-(4-methylphenyl)-1,2,4-triazol-4-amine Openeye Name: 3-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-5-(p-tolyl)-1,2,4-triazol-4-amine CAS Name: 3-[(2-methoxy-5-nitrophenyl)methylthio]-5-(4-methylphenyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-5-(4-methylphenyl)-1,2,4-triazol-4-amine Traditional Name: [3-[(2-methoxy-5-nitro-benzyl)thio]-5-(p-tolyl)-1,2,4-triazol-4-yl]amine Formula: C17H17N5O3S MolecularWeight: 371.41358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2N)SCC3=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2N)SCC3=C(C=CC(=C3)[N+](=O)[O-])OC

InChI

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