N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

Systemtic Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Openeye Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide CAS Name: N-[3-(3,5-dimethyl-1-pyrazolyl)propyl]-2-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide IUPAC Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Traditional Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide Formula: C18H22N6OS MolecularWeight: 370.47188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCNC(=O)C2=CC=CC=C2CSC3=NC=NN3)C

Isomeric SMILES

CC1=CC(=NN1CCCNC(=O)C2=CC=CC=C2CSC3=NC=NN3)C

InChI

InChI=1S/C18H22N6OS/c1-13-10-14(2)24(23-13)9-5-8-19-17(25)16-7-4-3-6-15(16)11-26-18-20-12-21-22-18/h3-4,6-7,10,12H,5,8-9,11H2,1-2H3,(H,19,25)(H,20,21,22)