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

Systemtic Name: 3-(4-tert-butylphenyl)-4-(2-chlorophenyl)-5-prop-2-enylsulfanyl-1,2,4-triazole Openeye Name: 3-allylsulfanyl-5-(4-tert-butylphenyl)-4-(2-chlorophenyl)-1,2,4-triazole CAS Name: 3-(4-tert-butylphenyl)-4-(2-chlorophenyl)-5-(prop-2-enylthio)-1,2,4-triazole IUPAC Name: 3-(4-tert-butylphenyl)-4-(2-chlorophenyl)-5-prop-2-enylsulfanyl-1,2,4-triazole Traditional Name: 3-(allylthio)-5-(4-tert-butylphenyl)-4-(2-chlorophenyl)-1,2,4-triazole Formula: C21H22ClN3S MolecularWeight: 383.93748

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3Cl)SCC=C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3Cl)SCC=C

InChI

InChI=1S/C21H22ClN3S/c1-5-14-26-20-24-23-19(25(20)18-9-7-6-8-17(18)22)15-10-12-16(13-11-15)21(2,3)4/h5-13H,1,14H2,2-4H3