3-(furan-2-yl)-5-[(4-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-(furan-2-yl)-5-[(4-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-(2-furyl)-5-(p-tolylmethylsulfanyl)-1,2,4-triazole CAS Name: 3-(2-furanyl)-5-[(4-methylphenyl)methylthio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-(furan-2-yl)-5-[(4-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-(2-furyl)-5-[(4-methylbenzyl)thio]-1,2,4-triazole Formula: C17H17N3OS MolecularWeight: 311.40138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NN=C(N2CC=C)C3=CC=CO3

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NN=C(N2CC=C)C3=CC=CO3

InChI

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