2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-N-(prop-2-enylcarbamoyl)ethanamide

Systemtic Name: 2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-N-(prop-2-enylcarbamoyl)ethanamide Openeye Name: N-(allylcarbamoyl)-2-(1-phenyltetrazol-5-yl)sulfanyl-acetamide CAS Name: N-[oxo-(prop-2-enylamino)methyl]-2-[(1-phenyl-5-tetrazolyl)thio]acetamide IUPAC Name: 2-(1-phenyltetrazol-5-yl)sulfanyl-N-(prop-2-enylcarbamoyl)acetamide Traditional Name: N-(allylcarbamoyl)-2-[(1-phenyltetrazol-5-yl)thio]acetamide Formula: C13H14N6O2S MolecularWeight: 318.35426

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)NC(=O)CSC1=NN=NN1C2=CC=CC=C2

Isomeric SMILES

C=CCNC(=O)NC(=O)CSC1=NN=NN1C2=CC=CC=C2

InChI

InChI=1S/C13H14N6O2S/c1-2-8-14-12(21)15-11(20)9-22-13-16-17-18-19(13)10-6-4-3-5-7-10/h2-7H,1,8-9H2,(H2,14,15,20,21)