3-cyclohexyl-5-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-cyclohexyl-5-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-cyclohexyl-5-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-1,2,4-triazole CAS Name: 3-cyclohexyl-5-[(4-methylsulfonyl-2-nitrophenyl)thio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-cyclohexyl-5-(4-methylsulfonyl-2-nitrophenyl)sulfanyl-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-cyclohexyl-5-[(4-mesyl-2-nitro-phenyl)thio]-1,2,4-triazole Formula: C18H22N4O4S2 MolecularWeight: 422.52168

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)SC2=NN=C(N2CC=C)C3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)SC2=NN=C(N2CC=C)C3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O4S2/c1-3-11-21-17(13-7-5-4-6-8-13)19-20-18(21)27-16-10-9-14(28(2,25)26)12-15(16)22(23)24/h3,9-10,12-13H,1,4-8,11H2,2H3