(E)-3-(1-phenylsulfanyl-5-propyl-pyrrol-3-yl)-1-(2H-1,2,3,4-tetrazol-5-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(1-phenylsulfanyl-5-propyl-pyrrol-3-yl)-1-(2H-1,2,3,4-tetrazol-5-yl)prop-2-en-1-one Openeye Name: (E)-3-(1-phenylsulfanyl-5-propyl-pyrrol-3-yl)-1-(2H-tetrazol-5-yl)prop-2-en-1-one CAS Name: (E)-3-[1-(phenylthio)-5-propyl-3-pyrrolyl]-1-(2H-tetrazol-5-yl)-2-propen-1-one IUPAC Name: (E)-3-(1-phenylsulfanyl-5-propylpyrrol-3-yl)-1-(2H-tetrazol-5-yl)prop-2-en-1-one Traditional Name: (E)-3-[1-(phenylthio)-5-propyl-pyrrol-3-yl]-1-(2H-tetrazol-5-yl)prop-2-en-1-one Formula: C17H17N5OS MolecularWeight: 339.41478

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=CN1SC2=CC=CC=C2)C=CC(=O)C3=NNN=N3

Isomeric SMILES

CCCC1=CC(=CN1SC2=CC=CC=C2)/C=C/C(=O)C3=NNN=N3

InChI

InChI=1S/C17H17N5OS/c1-2-6-14-11-13(9-10-16(23)17-18-20-21-19-17)12-22(14)24-15-7-4-3-5-8-15/h3-5,7-12H,2,6H2,1H3,(H,18,19,20,21)/b10-9+