2-(3-azanyl-5-methylsulfanyl-1,2,4-triazol-4-yl)-N-(4-phenoxyphenyl)butanamide

Systemtic Name: 2-(3-azanyl-5-methylsulfanyl-1,2,4-triazol-4-yl)-N-(4-phenoxyphenyl)butanamide Openeye Name: 2-(3-amino-5-methylsulfanyl-1,2,4-triazol-4-yl)-N-(4-phenoxyphenyl)butanamide CAS Name: 2-[3-amino-5-(methylthio)-1,2,4-triazol-4-yl]-N-(4-phenoxyphenyl)butanamide IUPAC Name: 2-(3-amino-5-methylsulfanyl-1,2,4-triazol-4-yl)-N-(4-phenoxyphenyl)butanamide Traditional Name: 2-[3-amino-5-(methylthio)-1,2,4-triazol-4-yl]-N-(4-phenoxyphenyl)butyramide Formula: C19H21N5O2S MolecularWeight: 383.46734

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)N3C(=NN=C3SC)N

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)N3C(=NN=C3SC)N

InChI

InChI=1S/C19H21N5O2S/c1-3-16(24-18(20)22-23-19(24)27-2)17(25)21-13-9-11-15(12-10-13)26-14-7-5-4-6-8-14/h4-12,16H,3H2,1-2H3,(H2,20,22)(H,21,25)