2-[3-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide

Systemtic Name: 2-[3-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide Openeye Name: 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide CAS Name: 2-[3-amino-5-(phenylmethylthio)-1,2,4-triazol-4-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide IUPAC Name: 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide Traditional Name: 2-[3-amino-5-(benzylthio)-1,2,4-triazol-4-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)butyramide Formula: C21H22N6OS2 MolecularWeight: 438.56898

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)C)N3C(=NN=C3SCC4=CC=CC=C4)N

Isomeric SMILES

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)C)N3C(=NN=C3SCC4=CC=CC=C4)N

InChI

InChI=1S/C21H22N6OS2/c1-3-16(18(28)24-20-23-15-10-9-13(2)11-17(15)30-20)27-19(22)25-26-21(27)29-12-14-7-5-4-6-8-14/h4-11,16H,3,12H2,1-2H3,(H2,22,25)(H,23,24,28)