3-[(3-chloranyl-1-benzothiophen-2-yl)methylsulfanyl]-4-ethyl-5-(phenylmethyl)-1,2,4-triazole

Systemtic Name: 3-[(3-chloranyl-1-benzothiophen-2-yl)methylsulfanyl]-4-ethyl-5-(phenylmethyl)-1,2,4-triazole Openeye Name: 3-benzyl-5-[(3-chlorobenzothiophen-2-yl)methylsulfanyl]-4-ethyl-1,2,4-triazole CAS Name: 3-[(3-chloro-1-benzothiophen-2-yl)methylthio]-4-ethyl-5-(phenylmethyl)-1,2,4-triazole IUPAC Name: 3-benzyl-5-[(3-chloro-1-benzothiophen-2-yl)methylsulfanyl]-4-ethyl-1,2,4-triazole Traditional Name: 3-benzyl-5-[(3-chlorobenzothiophen-2-yl)methylthio]-4-ethyl-1,2,4-triazole Formula: C20H18ClN3S2 MolecularWeight: 399.96002

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=C(C3=CC=CC=C3S2)Cl)CC4=CC=CC=C4

Isomeric SMILES

CCN1C(=NN=C1SCC2=C(C3=CC=CC=C3S2)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C20H18ClN3S2/c1-2-24-18(12-14-8-4-3-5-9-14)22-23-20(24)25-13-17-19(21)15-10-6-7-11-16(15)26-17/h3-11H,2,12-13H2,1H3