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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)CCCSC2=NN=C(N2C3=CC=CC=C3)CC4=CC=CS4

Isomeric SMILES

C1COCCN1C(=O)CCCSC2=NN=C(N2C3=CC=CC=C3)CC4=CC=CS4

InChI

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