3-[5-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyridine

Systemtic Name: 3-[5-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyridine Openeye Name: 3-[4-allyl-5-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine CAS Name: 3-[5-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyridine IUPAC Name: 3-[5-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyridine Traditional Name: 3-[4-allyl-5-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-1,2,4-triazol-3-yl]pyridine Formula: C18H15ClN4O2S MolecularWeight: 386.8553

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CC3=C(C=C2Cl)OCO3)C4=CN=CC=C4

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CC3=C(C=C2Cl)OCO3)C4=CN=CC=C4

InChI

InChI=1S/C18H15ClN4O2S/c1-2-6-23-17(12-4-3-5-20-9-12)21-22-18(23)26-10-13-7-15-16(8-14(13)19)25-11-24-15/h2-5,7-9H,1,6,10-11H2