2-[3-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]-N-(2-propan-2-ylphenyl)butanamide

Systemtic Name: 2-[3-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]-N-(2-propan-2-ylphenyl)butanamide Openeye Name: 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-(2-isopropylphenyl)butanamide CAS Name: 2-[3-amino-5-(phenylmethylthio)-1,2,4-triazol-4-yl]-N-(2-propan-2-ylphenyl)butanamide IUPAC Name: 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-(2-propan-2-ylphenyl)butanamide Traditional Name: 2-[3-amino-5-(benzylthio)-1,2,4-triazol-4-yl]-N-o-cumenyl-butyramide Formula: C22H27N5OS MolecularWeight: 409.54768

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1C(C)C)N2C(=NN=C2SCC3=CC=CC=C3)N

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1C(C)C)N2C(=NN=C2SCC3=CC=CC=C3)N

InChI

InChI=1S/C22H27N5OS/c1-4-19(20(28)24-18-13-9-8-12-17(18)15(2)3)27-21(23)25-26-22(27)29-14-16-10-6-5-7-11-16/h5-13,15,19H,4,14H2,1-3H3,(H2,23,25)(H,24,28)