3-[(3-chloranyl-1-benzothiophen-2-yl)methylsulfanyl]-5-phenyl-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-[(3-chloranyl-1-benzothiophen-2-yl)methylsulfanyl]-5-phenyl-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(3-chlorobenzothiophen-2-yl)methylsulfanyl]-5-phenyl-1,2,4-triazole CAS Name: 3-[(3-chloro-1-benzothiophen-2-yl)methylthio]-5-phenyl-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(3-chloro-1-benzothiophen-2-yl)methylsulfanyl]-5-phenyl-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(3-chlorobenzothiophen-2-yl)methylthio]-5-phenyl-1,2,4-triazole Formula: C20H16ClN3S2 MolecularWeight: 397.94414

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=C(C3=CC=CC=C3S2)Cl)C4=CC=CC=C4

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=C(C3=CC=CC=C3S2)Cl)C4=CC=CC=C4

InChI

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