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

Systemtic Name: 2-[3-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]-N-(1,3-thiazol-2-yl)propanamide Openeye Name: 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-thiazol-2-yl-propanamide CAS Name: 2-[3-amino-5-(phenylmethylthio)-1,2,4-triazol-4-yl]-N-(2-thiazolyl)propanamide IUPAC Name: 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-(1,3-thiazol-2-yl)propanamide Traditional Name: 2-[3-amino-5-(benzylthio)-1,2,4-triazol-4-yl]-N-thiazol-2-yl-propionamide Formula: C15H16N6OS2 MolecularWeight: 360.45714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC=CS1)N2C(=NN=C2SCC3=CC=CC=C3)N

Isomeric SMILES

CC(C(=O)NC1=NC=CS1)N2C(=NN=C2SCC3=CC=CC=C3)N

InChI

InChI=1S/C15H16N6OS2/c1-10(12(22)18-14-17-7-8-23-14)21-13(16)19-20-15(21)24-9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H2,16,19)(H,17,18,22)