3-(3,4-dichlorophenyl)-5-[(4-methoxyphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-(3,4-dichlorophenyl)-5-[(4-methoxyphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-(3,4-dichlorophenyl)-5-[(4-methoxyphenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(3,4-dichlorophenyl)-5-[(4-methoxyphenyl)methylthio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-(3,4-dichlorophenyl)-5-[(4-methoxyphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-(3,4-dichlorophenyl)-5-(p-anisylthio)-1,2,4-triazole Formula: C19H17Cl2N3OS MolecularWeight: 406.32878

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSC2=NN=C(N2CC=C)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

COC1=CC=C(C=C1)CSC2=NN=C(N2CC=C)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C19H17Cl2N3OS/c1-3-10-24-18(14-6-9-16(20)17(21)11-14)22-23-19(24)26-12-13-4-7-15(25-2)8-5-13/h3-9,11H,1,10,12H2,2H3