4-(3-chloranyl-4-methoxy-phenyl)-3-[(3-nitrophenyl)methylsulfanyl]-5-phenyl-1,2,4-triazole

Systemtic Name: 4-(3-chloranyl-4-methoxy-phenyl)-3-[(3-nitrophenyl)methylsulfanyl]-5-phenyl-1,2,4-triazole Openeye Name: 4-(3-chloro-4-methoxy-phenyl)-3-[(3-nitrophenyl)methylsulfanyl]-5-phenyl-1,2,4-triazole CAS Name: 4-(3-chloro-4-methoxyphenyl)-3-[(3-nitrophenyl)methylthio]-5-phenyl-1,2,4-triazole IUPAC Name: 4-(3-chloro-4-methoxyphenyl)-3-[(3-nitrophenyl)methylsulfanyl]-5-phenyl-1,2,4-triazole Traditional Name: 4-(3-chloro-4-methoxy-phenyl)-3-[(3-nitrobenzyl)thio]-5-phenyl-1,2,4-triazole Formula: C22H17ClN4O3S MolecularWeight: 452.91338

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=NN=C2SCC3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=NN=C2SCC3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4)Cl

InChI

InChI=1S/C22H17ClN4O3S/c1-30-20-11-10-17(13-19(20)23)26-21(16-7-3-2-4-8-16)24-25-22(26)31-14-15-6-5-9-18(12-15)27(28)29/h2-13H,14H2,1H3