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

Systemtic Name: 2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide Openeye Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide CAS Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide Traditional Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)propionamide Formula: C21H22N6O2S2 MolecularWeight: 454.56838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N6O2S2/c1-13(18(28)24-20-23-16-9-8-15(29-2)12-17(16)31-20)27-19(22)25-26-21(27)30-11-10-14-6-4-3-5-7-14/h3-9,12-13H,10-11H2,1-2H3,(H2,22,25)(H,23,24,28)