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

Systemtic Name: 2,5-dimethyl-N-[(5-methylsulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl)methyl]pyrazole-3-carboxamide Openeye Name: N-[(4-allyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]-2,5-dimethyl-pyrazole-3-carboxamide CAS Name: 2,5-dimethyl-N-[[5-(methylthio)-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-3-pyrazolecarboxamide IUPAC Name: 2,5-dimethyl-N-[(5-methylsulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl)methyl]pyrazole-3-carboxamide Traditional Name: N-[[4-allyl-5-(methylthio)-1,2,4-triazol-3-yl]methyl]-2,5-dimethyl-pyrazole-3-carboxamide Formula: C13H18N6OS MolecularWeight: 306.38662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(=O)NCC2=NN=C(N2CC=C)SC)C

Isomeric SMILES

CC1=NN(C(=C1)C(=O)NCC2=NN=C(N2CC=C)SC)C

InChI

InChI=1S/C13H18N6OS/c1-5-6-19-11(15-16-13(19)21-4)8-14-12(20)10-7-9(2)17-18(10)3/h5,7H,1,6,8H2,2-4H3,(H,14,20)