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

Systemtic Name: 3-(3-chloranyl-1-benzothiophen-2-yl)-5-(phenylmethylsulfanyl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-benzylsulfanyl-5-(3-chlorobenzothiophen-2-yl)-1,2,4-triazole CAS Name: 3-(3-chloro-1-benzothiophen-2-yl)-5-(phenylmethylthio)-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-5-(3-chloro-1-benzothiophen-2-yl)-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-(benzylthio)-5-(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(=NN=C1SCC2=CC=CC=C2)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CC=CC=C2)C3=C(C4=CC=CC=C4S3)Cl

InChI

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