[3-(4-chlorophenyl)-5-hexylsulfanyl-1,2,4-triazol-1-yl]-morpholin-4-yl-methanone

Systemtic Name: [3-(4-chlorophenyl)-5-hexylsulfanyl-1,2,4-triazol-1-yl]-morpholin-4-yl-methanone Openeye Name: [3-(4-chlorophenyl)-5-hexylsulfanyl-1,2,4-triazol-1-yl]-morpholino-methanone CAS Name: [3-(4-chlorophenyl)-5-(hexylthio)-1,2,4-triazol-1-yl]-(4-morpholinyl)methanone IUPAC Name: [3-(4-chlorophenyl)-5-hexylsulfanyl-1,2,4-triazol-1-yl]-morpholin-4-ylmethanone Traditional Name: [3-(4-chlorophenyl)-5-(hexylthio)-1,2,4-triazol-1-yl]-morpholino-methanone Formula: C19H25ClN4O2S MolecularWeight: 408.9454

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NC(=NN1C(=O)N2CCOCC2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCCCSC1=NC(=NN1C(=O)N2CCOCC2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H25ClN4O2S/c1-2-3-4-5-14-27-18-21-17(15-6-8-16(20)9-7-15)22-24(18)19(25)23-10-12-26-13-11-23/h6-9H,2-5,10-14H2,1H3