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

Systemtic Name: 2-(3-azanyl-5-ethylsulfanyl-1,2,4-triazol-4-yl)-N-(6-chloranyl-1,3-benzothiazol-2-yl)propanamide Openeye Name: 2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)-N-(6-chloro-1,3-benzothiazol-2-yl)propanamide CAS Name: 2-[3-amino-5-(ethylthio)-1,2,4-triazol-4-yl]-N-(6-chloro-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)-N-(6-chloro-1,3-benzothiazol-2-yl)propanamide Traditional Name: 2-[3-amino-5-(ethylthio)-1,2,4-triazol-4-yl]-N-(6-chloro-1,3-benzothiazol-2-yl)propionamide Formula: C14H15ClN6OS2 MolecularWeight: 382.8915

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(N1C(C)C(=O)NC2=NC3=C(S2)C=C(C=C3)Cl)N

Isomeric SMILES

CCSC1=NN=C(N1C(C)C(=O)NC2=NC3=C(S2)C=C(C=C3)Cl)N

InChI

InChI=1S/C14H15ClN6OS2/c1-3-23-14-20-19-12(16)21(14)7(2)11(22)18-13-17-9-5-4-8(15)6-10(9)24-13/h4-7H,3H2,1-2H3,(H2,16,19)(H,17,18,22)