3-[(5-chloranylthiophen-2-yl)methylsulfanyl]-4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazole

Systemtic Name: 3-[(5-chloranylthiophen-2-yl)methylsulfanyl]-4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazole Openeye Name: 3-[(5-chloro-2-thienyl)methylsulfanyl]-4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazole CAS Name: 3-[(5-chloro-2-thiophenyl)methylthio]-4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazole IUPAC Name: 3-[(5-chlorothiophen-2-yl)methylsulfanyl]-4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazole Traditional Name: 3-[(5-chloro-2-thienyl)methylthio]-4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazole Formula: C21H18ClN3S2 MolecularWeight: 411.97072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NN=C2SCC3=CC=C(S3)Cl)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NN=C2SCC3=CC=C(S3)Cl)C4=CC=CC=C4)C

InChI

InChI=1S/C21H18ClN3S2/c1-14-8-9-17(12-15(14)2)25-20(16-6-4-3-5-7-16)23-24-21(25)26-13-18-10-11-19(22)27-18/h3-12H,13H2,1-2H3