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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])CSC2=NN=C(N2N)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])CSC2=NN=C(N2N)C3=CC=C(C=C3)OC

InChI

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