2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(1,3-thiazol-2-yl)propanamide

Systemtic Name: 2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(1,3-thiazol-2-yl)propanamide Openeye Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-thiazol-2-yl-propanamide CAS Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-(2-thiazolyl)propanamide IUPAC Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(1,3-thiazol-2-yl)propanamide Traditional Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-thiazol-2-yl-propionamide Formula: C16H18N6OS2 MolecularWeight: 374.48372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC=CS1)N2C(=NN=C2SCCC3=CC=CC=C3)N

Isomeric SMILES

CC(C(=O)NC1=NC=CS1)N2C(=NN=C2SCCC3=CC=CC=C3)N

InChI

InChI=1S/C16H18N6OS2/c1-11(13(23)19-15-18-8-10-24-15)22-14(17)20-21-16(22)25-9-7-12-5-3-2-4-6-12/h2-6,8,10-11H,7,9H2,1H3,(H2,17,20)(H,18,19,23)