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

Systemtic Name: 4-methylsulfonyl-N-[3-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propyl]-2-nitro-aniline Openeye Name: 4-methylsulfonyl-N-[3-[[4-methyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]propyl]-2-nitro-aniline CAS Name: 4-methylsulfonyl-N-[3-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]propyl]-2-nitroaniline IUPAC Name: 4-methylsulfonyl-N-[3-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propyl]-2-nitroaniline Traditional Name: (4-mesyl-2-nitro-phenyl)-[3-[[4-methyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]propyl]amine Formula: C17H19N5O4S3 MolecularWeight: 453.55886

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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=CC=CS3

Isomeric SMILES

CN1C(=NN=C1SCCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])C3=CC=CS3

InChI

InChI=1S/C17H19N5O4S3/c1-21-16(15-5-3-9-27-15)19-20-17(21)28-10-4-8-18-13-7-6-12(29(2,25)26)11-14(13)22(23)24/h3,5-7,9,11,18H,4,8,10H2,1-2H3