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

Systemtic Name: 3-[(4-methylphenyl)methylsulfanyl]-5-(4-propan-2-ylphenyl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-(4-isopropylphenyl)-5-(p-tolylmethylsulfanyl)-1,2,4-triazole CAS Name: 3-[(4-methylphenyl)methylthio]-5-(4-propan-2-ylphenyl)-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(4-methylphenyl)methylsulfanyl]-5-(4-propan-2-ylphenyl)-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(4-methylbenzyl)thio]-5-p-cumenyl-1,2,4-triazole Formula: C22H25N3S MolecularWeight: 363.519

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3S/c1-5-14-25-21(20-12-10-19(11-13-20)16(2)3)23-24-22(25)26-15-18-8-6-17(4)7-9-18/h5-13,16H,1,14-15H2,2-4H3