4-methyl-3-(2-methylfuran-3-yl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazole

Systemtic Name: 4-methyl-3-(2-methylfuran-3-yl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazole Openeye Name: 3-[(E)-cinnamyl]sulfanyl-4-methyl-5-(2-methyl-3-furyl)-1,2,4-triazole CAS Name: 4-methyl-3-(2-methyl-3-furanyl)-5-[[(E)-3-phenylprop-2-enyl]thio]-1,2,4-triazole IUPAC Name: 4-methyl-3-(2-methylfuran-3-yl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazole Traditional Name: 3-[[(E)-cinnamyl]thio]-4-methyl-5-(2-methyl-3-furyl)-1,2,4-triazole Formula: C17H17N3OS MolecularWeight: 311.40138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN=C(N2C)SCC=CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2C)SC/C=C/C3=CC=CC=C3

InChI

InChI=1S/C17H17N3OS/c1-13-15(10-11-21-13)16-18-19-17(20(16)2)22-12-6-9-14-7-4-3-5-8-14/h3-11H,12H2,1-2H3/b9-6+