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

Systemtic Name: 4-[5-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyridine Openeye Name: 4-[4-allyl-5-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine CAS Name: 4-[5-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyridine IUPAC Name: 4-[5-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyridine Traditional Name: 4-[4-allyl-5-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-1,2,4-triazol-3-yl]pyridine Formula: C18H15BrN4O2S MolecularWeight: 431.3063

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CC3=C(C=C2Br)OCO3)C4=CC=NC=C4

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CC3=C(C=C2Br)OCO3)C4=CC=NC=C4

InChI

InChI=1S/C18H15BrN4O2S/c1-2-7-23-17(12-3-5-20-6-4-12)21-22-18(23)26-10-13-8-15-16(9-14(13)19)25-11-24-15/h2-6,8-9H,1,7,10-11H2