4-methyl-3-(2-methylfuran-3-yl)-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazole

Systemtic Name: 4-methyl-3-(2-methylfuran-3-yl)-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 4-methyl-3-(2-methyl-3-furyl)-5-(p-tolylmethylsulfanyl)-1,2,4-triazole CAS Name: 4-methyl-3-(2-methyl-3-furanyl)-5-[(4-methylphenyl)methylthio]-1,2,4-triazole IUPAC Name: 4-methyl-3-(2-methylfuran-3-yl)-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 4-methyl-3-[(4-methylbenzyl)thio]-5-(2-methyl-3-furyl)-1,2,4-triazole Formula: C16H17N3OS MolecularWeight: 299.39068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NN=C(N2C)C3=C(OC=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NN=C(N2C)C3=C(OC=C3)C

InChI

InChI=1S/C16H17N3OS/c1-11-4-6-13(7-5-11)10-21-16-18-17-15(19(16)3)14-8-9-20-12(14)2/h4-9H,10H2,1-3H3