2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(6-chloranyl-1,3-benzothiazol-2-yl)propanamide

Systemtic Name: 2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(6-chloranyl-1,3-benzothiazol-2-yl)propanamide Openeye Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(6-chloro-1,3-benzothiazol-2-yl)propanamide CAS Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-(6-chloro-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(6-chloro-1,3-benzothiazol-2-yl)propanamide Traditional Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-(6-chloro-1,3-benzothiazol-2-yl)propionamide Formula: C20H19ClN6OS2 MolecularWeight: 458.98746

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC2=C(S1)C=C(C=C2)Cl)N3C(=NN=C3SCCC4=CC=CC=C4)N

Isomeric SMILES

CC(C(=O)NC1=NC2=C(S1)C=C(C=C2)Cl)N3C(=NN=C3SCCC4=CC=CC=C4)N

InChI

InChI=1S/C20H19ClN6OS2/c1-12(17(28)24-19-23-15-8-7-14(21)11-16(15)30-19)27-18(22)25-26-20(27)29-10-9-13-5-3-2-4-6-13/h2-8,11-12H,9-10H2,1H3,(H2,22,25)(H,23,24,28)