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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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