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

Systemtic Name: 3-(2-chlorophenyl)-4-(3-methoxypropyl)-5-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-1,2,4-triazole Openeye Name: 3-(2-chlorophenyl)-4-(3-methoxypropyl)-5-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-1,2,4-triazole CAS Name: 3-(2-chlorophenyl)-4-(3-methoxypropyl)-5-[(4-methylsulfonyl-2-nitrophenyl)thio]-1,2,4-triazole IUPAC Name: 3-(2-chlorophenyl)-4-(3-methoxypropyl)-5-(4-methylsulfonyl-2-nitrophenyl)sulfanyl-1,2,4-triazole Traditional Name: 3-(2-chlorophenyl)-5-[(4-mesyl-2-nitro-phenyl)thio]-4-(3-methoxypropyl)-1,2,4-triazole Formula: C19H19ClN4O5S2 MolecularWeight: 482.96096

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=NN=C1SC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])C3=CC=CC=C3Cl

Isomeric SMILES

COCCCN1C(=NN=C1SC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])C3=CC=CC=C3Cl

InChI

InChI=1S/C19H19ClN4O5S2/c1-29-11-5-10-23-18(14-6-3-4-7-15(14)20)21-22-19(23)30-17-9-8-13(31(2,27)28)12-16(17)24(25)26/h3-4,6-9,12H,5,10-11H2,1-2H3