3-(3-chloranyl-1-benzothiophen-2-yl)-1-(phenylmethyl)-5-(phenylmethylsulfanyl)-1,2,4-triazole

Systemtic Name: 3-(3-chloranyl-1-benzothiophen-2-yl)-1-(phenylmethyl)-5-(phenylmethylsulfanyl)-1,2,4-triazole Openeye Name: 1-benzyl-5-benzylsulfanyl-3-(3-chlorobenzothiophen-2-yl)-1,2,4-triazole CAS Name: 3-(3-chloro-1-benzothiophen-2-yl)-1-(phenylmethyl)-5-(phenylmethylthio)-1,2,4-triazole IUPAC Name: 1-benzyl-5-benzylsulfanyl-3-(3-chloro-1-benzothiophen-2-yl)-1,2,4-triazole Traditional Name: 1-benzyl-5-(benzylthio)-3-(3-chlorobenzothiophen-2-yl)-1,2,4-triazole Formula: C24H18ClN3S2 MolecularWeight: 448.00282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NC(=N2)C3=C(C4=CC=CC=C4S3)Cl)SCC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NC(=N2)C3=C(C4=CC=CC=C4S3)Cl)SCC5=CC=CC=C5

InChI

InChI=1S/C24H18ClN3S2/c25-21-19-13-7-8-14-20(19)30-22(21)23-26-24(29-16-18-11-5-2-6-12-18)28(27-23)15-17-9-3-1-4-10-17/h1-14H,15-16H2