3-[5-[(3-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]-N-(oxolan-2-ylmethyl)propanamide

Systemtic Name: 3-[5-[(3-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]-N-(oxolan-2-ylmethyl)propanamide Openeye Name: 3-[4-allyl-5-(m-tolylmethylsulfanyl)-1,2,4-triazol-3-yl]-N-(tetrahydrofuran-2-ylmethyl)propanamide CAS Name: 3-[5-[(3-methylphenyl)methylthio]-4-prop-2-enyl-1,2,4-triazol-3-yl]-N-(2-oxolanylmethyl)propanamide IUPAC Name: 3-[5-[(3-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]-N-(oxolan-2-ylmethyl)propanamide Traditional Name: 3-[4-allyl-5-[(3-methylbenzyl)thio]-1,2,4-triazol-3-yl]-N-(tetrahydrofurfuryl)propionamide Formula: C21H28N4O2S MolecularWeight: 400.53762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NN=C(N2CC=C)CCC(=O)NCC3CCCO3

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NN=C(N2CC=C)CCC(=O)NCC3CCCO3

InChI

InChI=1S/C21H28N4O2S/c1-3-11-25-19(9-10-20(26)22-14-18-8-5-12-27-18)23-24-21(25)28-15-17-7-4-6-16(2)13-17/h3-4,6-7,13,18H,1,5,8-12,14-15H2,2H3,(H,22,26)