2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(1,3-benzothiazol-2-yl)propanamide

Systemtic Name: 2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(1,3-benzothiazol-2-yl)propanamide Openeye Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(1,3-benzothiazol-2-yl)propanamide CAS Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-(1,3-benzothiazol-2-yl)propanamide IUPAC Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(1,3-benzothiazol-2-yl)propanamide Traditional Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-(1,3-benzothiazol-2-yl)propionamide Formula: C20H20N6OS2 MolecularWeight: 424.5424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC2=CC=CC=C2S1)N3C(=NN=C3SCCC4=CC=CC=C4)N

Isomeric SMILES

CC(C(=O)NC1=NC2=CC=CC=C2S1)N3C(=NN=C3SCCC4=CC=CC=C4)N

InChI

InChI=1S/C20H20N6OS2/c1-13(17(27)23-19-22-15-9-5-6-10-16(15)29-19)26-18(21)24-25-20(26)28-12-11-14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3,(H2,21,24)(H,22,23,27)