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

Systemtic Name: 4-methylsulfonyl-2-nitro-N-[3-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propyl]aniline Openeye Name: 4-methylsulfonyl-2-nitro-N-[3-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]propyl]aniline CAS Name: 4-methylsulfonyl-2-nitro-N-[3-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]propyl]aniline IUPAC Name: 4-methylsulfonyl-2-nitro-N-[3-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propyl]aniline Traditional Name: (4-mesyl-2-nitro-phenyl)-[3-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]propyl]amine Formula: C22H21N5O4S3 MolecularWeight: 515.62824

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCCSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CS4)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCCSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CS4)[N+](=O)[O-]

InChI

InChI=1S/C22H21N5O4S3/c1-34(30,31)17-10-11-18(19(15-17)27(28)29)23-12-6-14-33-22-25-24-21(20-9-5-13-32-20)26(22)16-7-3-2-4-8-16/h2-5,7-11,13,15,23H,6,12,14H2,1H3