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

Systemtic Name: 3-[(2-methylphenyl)methylsulfanyl]-5-propan-2-yl-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-isopropyl-5-(o-tolylmethylsulfanyl)-1,2,4-triazole CAS Name: 3-[(2-methylphenyl)methylthio]-5-propan-2-yl-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(2-methylphenyl)methylsulfanyl]-5-propan-2-yl-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-isopropyl-5-[(2-methylbenzyl)thio]-1,2,4-triazole Formula: C16H21N3S MolecularWeight: 287.42304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NN=C(N2CC=C)C(C)C

Isomeric SMILES

CC1=CC=CC=C1CSC2=NN=C(N2CC=C)C(C)C

InChI

InChI=1S/C16H21N3S/c1-5-10-19-15(12(2)3)17-18-16(19)20-11-14-9-7-6-8-13(14)4/h5-9,12H,1,10-11H2,2-4H3