N-aminocarbonyl-3-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: N-aminocarbonyl-3-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-carbamoyl-3-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-carbamoyl-3-[(1-phenyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-carbamoyl-3-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-carbamoyl-3-[(1-phenyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C12H13N5O2S MolecularWeight: 291.32892

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=NC(=N2)SCCC(=O)NC(=O)N

Isomeric SMILES

C1=CC=C(C=C1)N2C=NC(=N2)SCCC(=O)NC(=O)N

InChI

InChI=1S/C12H13N5O2S/c13-11(19)15-10(18)6-7-20-12-14-8-17(16-12)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H3,13,15,18,19)