3-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-5-(2-methyl-3-furyl)-1,2,4-triazole CAS Name: 3-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]-5-(2-methyl-3-furanyl)-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]-5-(2-methyl-3-furyl)-1,2,4-triazole Formula: C18H16ClN3O3S MolecularWeight: 389.85594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN=C(N2CC=C)SCC3=CC4=C(C(=C3)Cl)OCO4

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2CC=C)SCC3=CC4=C(C(=C3)Cl)OCO4

InChI

InChI=1S/C18H16ClN3O3S/c1-3-5-22-17(13-4-6-23-11(13)2)20-21-18(22)26-9-12-7-14(19)16-15(8-12)24-10-25-16/h3-4,6-8H,1,5,9-10H2,2H3