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

Systemtic Name: 3-(furan-2-yl)-4-(furan-2-ylmethyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-(2-furyl)-4-(2-furylmethyl)-5-(m-tolylmethylsulfanyl)-1,2,4-triazole CAS Name: 3-(2-furanyl)-4-(2-furanylmethyl)-5-[(3-methylphenyl)methylthio]-1,2,4-triazole IUPAC Name: 3-(furan-2-yl)-4-(furan-2-ylmethyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 4-(2-furfuryl)-3-(2-furyl)-5-[(3-methylbenzyl)thio]-1,2,4-triazole Formula: C19H17N3O2S MolecularWeight: 351.42218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NN=C(N2CC3=CC=CO3)C4=CC=CO4

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NN=C(N2CC3=CC=CO3)C4=CC=CO4

InChI

InChI=1S/C19H17N3O2S/c1-14-5-2-6-15(11-14)13-25-19-21-20-18(17-8-4-10-24-17)22(19)12-16-7-3-9-23-16/h2-11H,12-13H2,1H3