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

Systemtic Name: 3-[(3-methylphenyl)methylsulfanyl]-4-(oxolan-2-ylmethyl)-5-propan-2-yl-1,2,4-triazole Openeye Name: 3-isopropyl-5-(m-tolylmethylsulfanyl)-4-(tetrahydrofuran-2-ylmethyl)-1,2,4-triazole CAS Name: 3-[(3-methylphenyl)methylthio]-4-(2-oxolanylmethyl)-5-propan-2-yl-1,2,4-triazole IUPAC Name: 3-[(3-methylphenyl)methylsulfanyl]-4-(oxolan-2-ylmethyl)-5-propan-2-yl-1,2,4-triazole Traditional Name: 3-isopropyl-5-[(3-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=C1)CSC2=NN=C(N2CC3CCCO3)C(C)C

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NN=C(N2CC3CCCO3)C(C)C

InChI

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