5-[(E)-2-(5-methylfuran-2-yl)ethenyl]-3-(3-phenoxypropylsulfanyl)-1H-1,2,4-triazole

Systemtic Name: 5-[(E)-2-(5-methylfuran-2-yl)ethenyl]-3-(3-phenoxypropylsulfanyl)-1H-1,2,4-triazole Openeye Name: 5-[(E)-2-(5-methyl-2-furyl)vinyl]-3-(3-phenoxypropylsulfanyl)-1H-1,2,4-triazole CAS Name: 5-[(E)-2-(5-methyl-2-furanyl)ethenyl]-3-(3-phenoxypropylthio)-1H-1,2,4-triazole IUPAC Name: 5-[(E)-2-(5-methylfuran-2-yl)ethenyl]-3-(3-phenoxypropylsulfanyl)-1H-1,2,4-triazole Traditional Name: 5-[(E)-2-(5-methyl-2-furyl)vinyl]-3-(3-phenoxypropylthio)-1H-1,2,4-triazole Formula: C18H19N3O2S MolecularWeight: 341.42736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C=CC2=NC(=NN2)SCCCOC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(O1)/C=C/C2=NC(=NN2)SCCCOC3=CC=CC=C3

InChI

InChI=1S/C18H19N3O2S/c1-14-8-9-16(23-14)10-11-17-19-18(21-20-17)24-13-5-12-22-15-6-3-2-4-7-15/h2-4,6-11H,5,12-13H2,1H3,(H,19,20,21)/b11-10+