2,2-dimethyl-N-[[5-[(3-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]oxane-4-carboxamide

Systemtic Name: 2,2-dimethyl-N-[[5-[(3-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]oxane-4-carboxamide Openeye Name: N-[[4-allyl-5-(m-tolylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-2,2-dimethyl-tetrahydropyran-4-carboxamide CAS Name: 2,2-dimethyl-N-[[5-[(3-methylphenyl)methylthio]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-4-oxanecarboxamide IUPAC Name: 2,2-dimethyl-N-[[5-[(3-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]oxane-4-carboxamide Traditional Name: N-[[4-allyl-5-[(3-methylbenzyl)thio]-1,2,4-triazol-3-yl]methyl]-2,2-dimethyl-tetrahydropyran-4-carboxamide Formula: C22H30N4O2S MolecularWeight: 414.5642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NN=C(N2CC=C)CNC(=O)C3CCOC(C3)(C)C

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NN=C(N2CC=C)CNC(=O)C3CCOC(C3)(C)C

InChI

InChI=1S/C22H30N4O2S/c1-5-10-26-19(14-23-20(27)18-9-11-28-22(3,4)13-18)24-25-21(26)29-15-17-8-6-7-16(2)12-17/h5-8,12,18H,1,9-11,13-15H2,2-4H3,(H,23,27)