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

Systemtic Name: 3-[(2-methylphenyl)methylsulfanyl]-4-(oxolan-2-ylmethyl)-5-propan-2-yl-1,2,4-triazole Openeye Name: 3-isopropyl-5-(o-tolylmethylsulfanyl)-4-(tetrahydrofuran-2-ylmethyl)-1,2,4-triazole CAS Name: 3-[(2-methylphenyl)methylthio]-4-(2-oxolanylmethyl)-5-propan-2-yl-1,2,4-triazole IUPAC Name: 3-[(2-methylphenyl)methylsulfanyl]-4-(oxolan-2-ylmethyl)-5-propan-2-yl-1,2,4-triazole Traditional Name: 3-isopropyl-5-[(2-methylbenzyl)thio]-4-(tetrahydrofurfuryl)-1,2,4-triazole Formula: C18H25N3OS MolecularWeight: 331.4756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NN=C(N2CC3CCCO3)C(C)C

Isomeric SMILES

CC1=CC=CC=C1CSC2=NN=C(N2CC3CCCO3)C(C)C

InChI

InChI=1S/C18H25N3OS/c1-13(2)17-19-20-18(21(17)11-16-9-6-10-22-16)23-12-15-8-5-4-7-14(15)3/h4-5,7-8,13,16H,6,9-12H2,1-3H3