1-morpholin-4-yl-4-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]butan-1-one

Systemtic Name: 1-morpholin-4-yl-4-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]butan-1-one Openeye Name: 4-[[4-benzyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholino-butan-1-one CAS Name: 1-(4-morpholinyl)-4-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]-1-butanone IUPAC Name: 4-[(4-benzyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-morpholin-4-ylbutan-1-one Traditional Name: 4-[[4-benzyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-1-morpholino-butan-1-one Formula: C21H24N4O2S2 MolecularWeight: 428.57086

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)CCCSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

C1COCCN1C(=O)CCCSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C21H24N4O2S2/c26-19(24-10-12-27-13-11-24)9-5-15-29-21-23-22-20(18-8-4-14-28-18)25(21)16-17-6-2-1-3-7-17/h1-4,6-8,14H,5,9-13,15-16H2