3-[(3-methylphenyl)methylsulfanyl]-4,5-di(propan-2-yl)-1,2,4-triazole

Systemtic Name: 3-[(3-methylphenyl)methylsulfanyl]-4,5-di(propan-2-yl)-1,2,4-triazole Openeye Name: 3,4-diisopropyl-5-(m-tolylmethylsulfanyl)-1,2,4-triazole CAS Name: 3-[(3-methylphenyl)methylthio]-4,5-di(propan-2-yl)-1,2,4-triazole IUPAC Name: 3-[(3-methylphenyl)methylsulfanyl]-4,5-di(propan-2-yl)-1,2,4-triazole Traditional Name: 3,4-diisopropyl-5-[(3-methylbenzyl)thio]-1,2,4-triazole Formula: C16H23N3S MolecularWeight: 289.43892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3S/c1-11(2)15-17-18-16(19(15)12(3)4)20-10-14-8-6-7-13(5)9-14/h6-9,11-12H,10H2,1-5H3