N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

Systemtic Name: N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Openeye Name: N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide CAS Name: N-methyl-N-[(1-phenyl-4-pyrazolyl)methyl]-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide IUPAC Name: N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Traditional Name: N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide Formula: C21H20N6OS MolecularWeight: 404.4881

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1)C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)CSC4=NC=NN4

Isomeric SMILES

CN(CC1=CN(N=C1)C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)CSC4=NC=NN4

InChI

InChI=1S/C21H20N6OS/c1-26(12-17-11-24-27(13-17)19-5-3-2-4-6-19)20(28)18-9-7-16(8-10-18)14-29-21-22-15-23-25-21/h2-11,13,15H,12,14H2,1H3,(H,22,23,25)