N-[(6-morpholin-4-ylpyridin-3-yl)methyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

Systemtic Name: N-[(6-morpholin-4-ylpyridin-3-yl)methyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Openeye Name: N-[(6-morpholino-3-pyridyl)methyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide CAS Name: N-[[6-(4-morpholinyl)-3-pyridinyl]methyl]-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide IUPAC Name: N-[(6-morpholin-4-ylpyridin-3-yl)methyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Traditional Name: N-[(6-morpholino-3-pyridyl)methyl]-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide Formula: C20H22N6O2S MolecularWeight: 410.49268

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC=C(C=C2)CNC(=O)C3=CC=C(C=C3)CSC4=NC=NN4

Isomeric SMILES

C1COCCN1C2=NC=C(C=C2)CNC(=O)C3=CC=C(C=C3)CSC4=NC=NN4

InChI

InChI=1S/C20H22N6O2S/c27-19(17-4-1-15(2-5-17)13-29-20-23-14-24-25-20)22-12-16-3-6-18(21-11-16)26-7-9-28-10-8-26/h1-6,11,14H,7-10,12-13H2,(H,22,27)(H,23,24,25)