N-[3-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propyl]-4-methylsulfonyl-2-nitro-aniline

Systemtic Name: N-[3-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propyl]-4-methylsulfonyl-2-nitro-aniline Openeye Name: N-[3-[[4-methyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propyl]-4-methylsulfonyl-2-nitro-aniline CAS Name: N-[3-[[4-methyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]propyl]-4-methylsulfonyl-2-nitroaniline IUPAC Name: N-[3-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propyl]-4-methylsulfonyl-2-nitroaniline Traditional Name: (4-mesyl-2-nitro-phenyl)-[3-[[4-methyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]propyl]amine Formula: C18H20N6O4S2 MolecularWeight: 448.5192

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])C3=CN=CC=C3

Isomeric SMILES

CN1C(=NN=C1SCCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])C3=CN=CC=C3

InChI

InChI=1S/C18H20N6O4S2/c1-23-17(13-5-3-8-19-12-13)21-22-18(23)29-10-4-9-20-15-7-6-14(30(2,27)28)11-16(15)24(25)26/h3,5-8,11-12,20H,4,9-10H2,1-2H3