4-(3-chloranyl-2-methyl-phenyl)-3-[(2,5-dimethoxy-4-nitro-phenyl)sulfanylmethyl]-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(3-chloranyl-2-methyl-phenyl)-3-[(2,5-dimethoxy-4-nitro-phenyl)sulfanylmethyl]-1H-1,2,4-triazole-5-thione Openeye Name: 4-(3-chloro-2-methyl-phenyl)-3-[(2,5-dimethoxy-4-nitro-phenyl)sulfanylmethyl]-1H-1,2,4-triazole-5-thione CAS Name: 4-(3-chloro-2-methylphenyl)-3-[[(2,5-dimethoxy-4-nitrophenyl)thio]methyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(3-chloro-2-methylphenyl)-3-[(2,5-dimethoxy-4-nitrophenyl)sulfanylmethyl]-1H-1,2,4-triazole-5-thione Traditional Name: 4-(3-chloro-2-methyl-phenyl)-3-[[(2,5-dimethoxy-4-nitro-phenyl)thio]methyl]-1H-1,2,4-triazole-5-thione Formula: C18H17ClN4O4S2 MolecularWeight: 452.93498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2C(=NNC2=S)CSC3=C(C=C(C(=C3)OC)[N+](=O)[O-])OC

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C(=NNC2=S)CSC3=C(C=C(C(=C3)OC)[N+](=O)[O-])OC

InChI

InChI=1S/C18H17ClN4O4S2/c1-10-11(19)5-4-6-12(10)22-17(20-21-18(22)28)9-29-16-8-14(26-2)13(23(24)25)7-15(16)27-3/h4-8H,9H2,1-3H3,(H,21,28)