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

Systemtic Name: 2-[3-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide Openeye Name: 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-(4-methylthiazol-2-yl)propanamide CAS Name: 2-[3-amino-5-(phenylmethylthio)-1,2,4-triazol-4-yl]-N-(4-methyl-2-thiazolyl)propanamide IUPAC Name: 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide Traditional Name: 2-[3-amino-5-(benzylthio)-1,2,4-triazol-4-yl]-N-(4-methylthiazol-2-yl)propionamide Formula: C16H18N6OS2 MolecularWeight: 374.48372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)NC(=O)C(C)N2C(=NN=C2SCC3=CC=CC=C3)N

Isomeric SMILES

CC1=CSC(=N1)NC(=O)C(C)N2C(=NN=C2SCC3=CC=CC=C3)N

InChI

InChI=1S/C16H18N6OS2/c1-10-8-24-15(18-10)19-13(23)11(2)22-14(17)20-21-16(22)25-9-12-6-4-3-5-7-12/h3-8,11H,9H2,1-2H3,(H2,17,20)(H,18,19,23)