5-butylsulfanyl-4-(3-chlorophenyl)-N-(2-methoxyethyl)-N-(1H-1,2,4-triazol-5-yl)pentanamide

Systemtic Name: 5-butylsulfanyl-4-(3-chlorophenyl)-N-(2-methoxyethyl)-N-(1H-1,2,4-triazol-5-yl)pentanamide Openeye Name: 5-butylsulfanyl-4-(3-chlorophenyl)-N-(2-methoxyethyl)-N-(1H-1,2,4-triazol-5-yl)pentanamide CAS Name: 5-(butylthio)-4-(3-chlorophenyl)-N-(2-methoxyethyl)-N-(1H-1,2,4-triazol-5-yl)pentanamide IUPAC Name: 5-butylsulfanyl-4-(3-chlorophenyl)-N-(2-methoxyethyl)-N-(1H-1,2,4-triazol-5-yl)pentanamide Traditional Name: 5-(butylthio)-4-(3-chlorophenyl)-N-(2-methoxyethyl)-N-(1H-1,2,4-triazol-5-yl)valeramide Formula: C20H29ClN4O2S MolecularWeight: 424.98786

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCC(CCC(=O)N(CCOC)C1=NC=NN1)C2=CC(=CC=C2)Cl

Isomeric SMILES

CCCCSCC(CCC(=O)N(CCOC)C1=NC=NN1)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C20H29ClN4O2S/c1-3-4-12-28-14-17(16-6-5-7-18(21)13-16)8-9-19(26)25(10-11-27-2)20-22-15-23-24-20/h5-7,13,15,17H,3-4,8-12,14H2,1-2H3,(H,22,23,24)