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

Systemtic Name: 5-(3-chloranyl-1-benzothiophen-2-yl)-3-(phenylmethylsulfanyl)-1H-1,2,4-triazole Openeye Name: 3-benzylsulfanyl-5-(3-chlorobenzothiophen-2-yl)-1H-1,2,4-triazole CAS Name: 5-(3-chloro-1-benzothiophen-2-yl)-3-(phenylmethylthio)-1H-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-5-(3-chloro-1-benzothiophen-2-yl)-1H-1,2,4-triazole Traditional Name: 3-(benzylthio)-5-(3-chlorobenzothiophen-2-yl)-1H-1,2,4-triazole Formula: C17H12ClN3S2 MolecularWeight: 357.88028

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NNC(=N2)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NNC(=N2)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C17H12ClN3S2/c18-14-12-8-4-5-9-13(12)23-15(14)16-19-17(21-20-16)22-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,19,20,21)