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

Systemtic Name: 3-(3-chloranyl-1-benzothiophen-2-yl)-5-(phenylmethylsulfanyl)-1-prop-2-enyl-1,2,4-triazole Openeye Name: 1-allyl-5-benzylsulfanyl-3-(3-chlorobenzothiophen-2-yl)-1,2,4-triazole CAS Name: 3-(3-chloro-1-benzothiophen-2-yl)-5-(phenylmethylthio)-1-prop-2-enyl-1,2,4-triazole IUPAC Name: 5-benzylsulfanyl-3-(3-chloro-1-benzothiophen-2-yl)-1-prop-2-enyl-1,2,4-triazole Traditional Name: 1-allyl-5-(benzylthio)-3-(3-chlorobenzothiophen-2-yl)-1,2,4-triazole Formula: C20H16ClN3S2 MolecularWeight: 397.94414

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NC(=N1)C2=C(C3=CC=CC=C3S2)Cl)SCC4=CC=CC=C4

Isomeric SMILES

C=CCN1C(=NC(=N1)C2=C(C3=CC=CC=C3S2)Cl)SCC4=CC=CC=C4

InChI

InChI=1S/C20H16ClN3S2/c1-2-12-24-20(25-13-14-8-4-3-5-9-14)22-19(23-24)18-17(21)15-10-6-7-11-16(15)26-18/h2-11H,1,12-13H2