2-[3-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]-N-(1,3-benzothiazol-2-yl)propanamide

Systemtic Name: 2-[3-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]-N-(1,3-benzothiazol-2-yl)propanamide Openeye Name: 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-(1,3-benzothiazol-2-yl)propanamide CAS Name: 2-[3-amino-5-(phenylmethylthio)-1,2,4-triazol-4-yl]-N-(1,3-benzothiazol-2-yl)propanamide IUPAC Name: 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-(1,3-benzothiazol-2-yl)propanamide Traditional Name: 2-[3-amino-5-(benzylthio)-1,2,4-triazol-4-yl]-N-(1,3-benzothiazol-2-yl)propionamide Formula: C19H18N6OS2 MolecularWeight: 410.51582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC2=CC=CC=C2S1)N3C(=NN=C3SCC4=CC=CC=C4)N

Isomeric SMILES

CC(C(=O)NC1=NC2=CC=CC=C2S1)N3C(=NN=C3SCC4=CC=CC=C4)N

InChI

InChI=1S/C19H18N6OS2/c1-12(16(26)22-18-21-14-9-5-6-10-15(14)28-18)25-17(20)23-24-19(25)27-11-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H2,20,23)(H,21,22,26)