2-[3-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]-N-(3-chloranyl-4-methoxy-phenyl)butanamide

Systemtic Name: 2-[3-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]-N-(3-chloranyl-4-methoxy-phenyl)butanamide Openeye Name: 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-(3-chloro-4-methoxy-phenyl)butanamide CAS Name: 2-[3-amino-5-(phenylmethylthio)-1,2,4-triazol-4-yl]-N-(3-chloro-4-methoxyphenyl)butanamide IUPAC Name: 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-(3-chloro-4-methoxyphenyl)butanamide Traditional Name: 2-[3-amino-5-(benzylthio)-1,2,4-triazol-4-yl]-N-(3-chloro-4-methoxy-phenyl)butyramide Formula: C20H22ClN5O2S MolecularWeight: 431.93898

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=C(C=C1)OC)Cl)N2C(=NN=C2SCC3=CC=CC=C3)N

Isomeric SMILES

CCC(C(=O)NC1=CC(=C(C=C1)OC)Cl)N2C(=NN=C2SCC3=CC=CC=C3)N

InChI

InChI=1S/C20H22ClN5O2S/c1-3-16(18(27)23-14-9-10-17(28-2)15(21)11-14)26-19(22)24-25-20(26)29-12-13-7-5-4-6-8-13/h4-11,16H,3,12H2,1-2H3,(H2,22,24)(H,23,27)