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

Systemtic Name: 3-(3-chloranyl-1-benzothiophen-2-yl)-4-(phenylmethyl)-5-(phenylmethylsulfanyl)-1,2,4-triazole Openeye Name: 4-benzyl-3-benzylsulfanyl-5-(3-chlorobenzothiophen-2-yl)-1,2,4-triazole CAS Name: 3-(3-chloro-1-benzothiophen-2-yl)-4-(phenylmethyl)-5-(phenylmethylthio)-1,2,4-triazole IUPAC Name: 4-benzyl-3-benzylsulfanyl-5-(3-chloro-1-benzothiophen-2-yl)-1,2,4-triazole Traditional Name: 4-benzyl-3-(benzylthio)-5-(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(=NN=C2SCC3=CC=CC=C3)C4=C(C5=CC=CC=C5S4)Cl

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SCC3=CC=CC=C3)C4=C(C5=CC=CC=C5S4)Cl

InChI

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