N-(4-morpholin-4-ylphenyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

Systemtic Name: N-(4-morpholin-4-ylphenyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Openeye Name: N-(4-morpholinophenyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide CAS Name: N-[4-(4-morpholinyl)phenyl]-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide IUPAC Name: N-(4-morpholin-4-ylphenyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Traditional Name: N-(4-morpholinophenyl)-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide Formula: C20H21N5O2S MolecularWeight: 395.47804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O2S/c26-19(16-3-1-15(2-4-16)13-28-20-21-14-22-24-20)23-17-5-7-18(8-6-17)25-9-11-27-12-10-25/h1-8,14H,9-13H2,(H,23,26)(H,21,22,24)