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

Systemtic Name: (E)-3-(1-phenylsulfanyl-4-propyl-pyrrol-2-yl)-1-(2H-1,2,3,4-tetrazol-5-yl)prop-2-en-1-one Openeye Name: (E)-3-(1-phenylsulfanyl-4-propyl-pyrrol-2-yl)-1-(2H-tetrazol-5-yl)prop-2-en-1-one CAS Name: (E)-3-[1-(phenylthio)-4-propyl-2-pyrrolyl]-1-(2H-tetrazol-5-yl)-2-propen-1-one IUPAC Name: (E)-3-(1-phenylsulfanyl-4-propylpyrrol-2-yl)-1-(2H-tetrazol-5-yl)prop-2-en-1-one Traditional Name: (E)-3-[1-(phenylthio)-4-propyl-pyrrol-2-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=CN(C(=C1)C=CC(=O)C2=NNN=N2)SC3=CC=CC=C3

Isomeric SMILES

CCCC1=CN(C(=C1)/C=C/C(=O)C2=NNN=N2)SC3=CC=CC=C3

InChI

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