3-(4-tert-butylphenyl)-4-(furan-2-ylmethyl)-5-prop-2-enylsulfanyl-1,2,4-triazole

Systemtic Name: 3-(4-tert-butylphenyl)-4-(furan-2-ylmethyl)-5-prop-2-enylsulfanyl-1,2,4-triazole Openeye Name: 3-allylsulfanyl-5-(4-tert-butylphenyl)-4-(2-furylmethyl)-1,2,4-triazole CAS Name: 3-(4-tert-butylphenyl)-4-(2-furanylmethyl)-5-(prop-2-enylthio)-1,2,4-triazole IUPAC Name: 3-(4-tert-butylphenyl)-4-(furan-2-ylmethyl)-5-prop-2-enylsulfanyl-1,2,4-triazole Traditional Name: 3-(allylthio)-5-(4-tert-butylphenyl)-4-(2-furfuryl)-1,2,4-triazole Formula: C20H23N3OS MolecularWeight: 353.48112

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2CC3=CC=CO3)SCC=C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2CC3=CC=CO3)SCC=C

InChI

InChI=1S/C20H23N3OS/c1-5-13-25-19-22-21-18(23(19)14-17-7-6-12-24-17)15-8-10-16(11-9-15)20(2,3)4/h5-12H,1,13-14H2,2-4H3