4-[5-(2-methoxy-5-nitro-phenyl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]aniline

Systemtic Name: 4-[5-(2-methoxy-5-nitro-phenyl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]aniline Openeye Name: 4-[5-(2-methoxy-5-nitro-phenyl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]aniline CAS Name: 4-[5-[(2-methoxy-5-nitrophenyl)thio]-4-methyl-1,2,4-triazol-3-yl]aniline IUPAC Name: 4-[5-(2-methoxy-5-nitrophenyl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]aniline Traditional Name: [4-[5-[(2-methoxy-5-nitro-phenyl)thio]-4-methyl-1,2,4-triazol-3-yl]phenyl]amine Formula: C16H15N5O3S MolecularWeight: 357.387

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SC2=C(C=CC(=C2)[N+](=O)[O-])OC)C3=CC=C(C=C3)N

Isomeric SMILES

CN1C(=NN=C1SC2=C(C=CC(=C2)[N+](=O)[O-])OC)C3=CC=C(C=C3)N

InChI

InChI=1S/C16H15N5O3S/c1-20-15(10-3-5-11(17)6-4-10)18-19-16(20)25-14-9-12(21(22)23)7-8-13(14)24-2/h3-9H,17H2,1-2H3