3-cyclopropyl-5-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-4-phenyl-1,2,4-triazole

Systemtic Name: 3-cyclopropyl-5-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-4-phenyl-1,2,4-triazole Openeye Name: 3-cyclopropyl-5-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-4-phenyl-1,2,4-triazole CAS Name: 3-cyclopropyl-5-[(4-methylsulfonyl-2-nitrophenyl)thio]-4-phenyl-1,2,4-triazole IUPAC Name: 3-cyclopropyl-5-(4-methylsulfonyl-2-nitrophenyl)sulfanyl-4-phenyl-1,2,4-triazole Traditional Name: 3-cyclopropyl-5-[(4-mesyl-2-nitro-phenyl)thio]-4-phenyl-1,2,4-triazole Formula: C18H16N4O4S2 MolecularWeight: 416.47404

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)SC2=NN=C(N2C3=CC=CC=C3)C4CC4)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)SC2=NN=C(N2C3=CC=CC=C3)C4CC4)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O4S2/c1-28(25,26)14-9-10-16(15(11-14)22(23)24)27-18-20-19-17(12-7-8-12)21(18)13-5-3-2-4-6-13/h2-6,9-12H,7-8H2,1H3