3-phenylsulfanyl-N-(1,2,4-triazol-4-yl)propanamide

Systemtic Name: 3-phenylsulfanyl-N-(1,2,4-triazol-4-yl)propanamide Openeye Name: 3-phenylsulfanyl-N-(1,2,4-triazol-4-yl)propanamide CAS Name: 3-(phenylthio)-N-(1,2,4-triazol-4-yl)propanamide IUPAC Name: 3-phenylsulfanyl-N-(1,2,4-triazol-4-yl)propanamide Traditional Name: 3-(phenylthio)-N-(1,2,4-triazol-4-yl)propionamide Formula: C11H12N4OS MolecularWeight: 248.30418

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCC(=O)NN2C=NN=C2

Isomeric SMILES

C1=CC=C(C=C1)SCCC(=O)NN2C=NN=C2

InChI

InChI=1S/C11H12N4OS/c16-11(14-15-8-12-13-9-15)6-7-17-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,14,16)