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

Systemtic Name: 2,5-dimethyl-N-[[5-[(3-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]pyrazole-3-carboxamide Openeye Name: N-[[4-allyl-5-(m-tolylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-2,5-dimethyl-pyrazole-3-carboxamide CAS Name: 2,5-dimethyl-N-[[5-[(3-methylphenyl)methylthio]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-3-pyrazolecarboxamide IUPAC Name: 2,5-dimethyl-N-[[5-[(3-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]pyrazole-3-carboxamide Traditional Name: N-[[4-allyl-5-[(3-methylbenzyl)thio]-1,2,4-triazol-3-yl]methyl]-2,5-dimethyl-pyrazole-3-carboxamide Formula: C20H24N6OS MolecularWeight: 396.50916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NN=C(N2CC=C)CNC(=O)C3=CC(=NN3C)C

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NN=C(N2CC=C)CNC(=O)C3=CC(=NN3C)C

InChI

InChI=1S/C20H24N6OS/c1-5-9-26-18(12-21-19(27)17-11-15(3)24-25(17)4)22-23-20(26)28-13-16-8-6-7-14(2)10-16/h5-8,10-11H,1,9,12-13H2,2-4H3,(H,21,27)