3-[3,6-bis(chloranyl)-1-benzothiophen-2-yl]-4-methyl-5-phenethylsulfanyl-1,2,4-triazole

Systemtic Name: 3-[3,6-bis(chloranyl)-1-benzothiophen-2-yl]-4-methyl-5-phenethylsulfanyl-1,2,4-triazole Openeye Name: 3-(3,6-dichlorobenzothiophen-2-yl)-4-methyl-5-phenethylsulfanyl-1,2,4-triazole CAS Name: 3-(3,6-dichloro-1-benzothiophen-2-yl)-4-methyl-5-(phenethylthio)-1,2,4-triazole IUPAC Name: 3-(3,6-dichloro-1-benzothiophen-2-yl)-4-methyl-5-phenethylsulfanyl-1,2,4-triazole Traditional Name: 3-(3,6-dichlorobenzothiophen-2-yl)-4-methyl-5-(phenethylthio)-1,2,4-triazole Formula: C19H15Cl2N3S2 MolecularWeight: 420.3785

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCC2=CC=CC=C2)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl

Isomeric SMILES

CN1C(=NN=C1SCCC2=CC=CC=C2)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl

InChI

InChI=1S/C19H15Cl2N3S2/c1-24-18(17-16(21)14-8-7-13(20)11-15(14)26-17)22-23-19(24)25-10-9-12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3