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

Systemtic Name: 2-[3-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide Openeye Name: 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-(4-phenylthiazol-2-yl)propanamide CAS Name: 2-[3-amino-5-(phenylmethylthio)-1,2,4-triazol-4-yl]-N-(4-phenyl-2-thiazolyl)propanamide IUPAC Name: 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide Traditional Name: 2-[3-amino-5-(benzylthio)-1,2,4-triazol-4-yl]-N-(4-phenylthiazol-2-yl)propionamide Formula: C21H20N6OS2 MolecularWeight: 436.5531

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC(=CS1)C2=CC=CC=C2)N3C(=NN=C3SCC4=CC=CC=C4)N

Isomeric SMILES

CC(C(=O)NC1=NC(=CS1)C2=CC=CC=C2)N3C(=NN=C3SCC4=CC=CC=C4)N

InChI

InChI=1S/C21H20N6OS2/c1-14(18(28)24-20-23-17(13-29-20)16-10-6-3-7-11-16)27-19(22)25-26-21(27)30-12-15-8-4-2-5-9-15/h2-11,13-14H,12H2,1H3,(H2,22,25)(H,23,24,28)