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

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

Systemtic Name:(E)-3-(1-phenylsulfanyl-5-propyl-pyrrol-3-yl)-1-(1H-1,2,4-triazol-5-yl)prop-2-en-1-one
Openeye Name:(E)-3-(1-phenylsulfanyl-5-propyl-pyrrol-3-yl)-1-(1H-1,2,4-triazol-5-yl)prop-2-en-1-one
CAS Name:(E)-3-[1-(phenylthio)-5-propyl-3-pyrrolyl]-1-(1H-1,2,4-triazol-5-yl)-2-propen-1-one
IUPAC Name:(E)-3-(1-phenylsulfanyl-5-propylpyrrol-3-yl)-1-(1H-1,2,4-triazol-5-yl)prop-2-en-1-one
Traditional Name:(E)-3-[1-(phenylthio)-5-propyl-pyrrol-3-yl]-1-(1H-1,2,4-triazol-5-yl)prop-2-en-1-one
Formula: C18H18N4OS
MolecularWeight: 338.42672
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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=CN1SC2=CC=CC=C2)C=CC(=O)C3=NC=NN3


Isomeric SMILES

CCCC1=CC(=CN1SC2=CC=CC=C2)/C=C/C(=O)C3=NC=NN3


InChI

InChI=1S/C18H18N4OS/c1-2-6-15-11-14(9-10-17(23)18-19-13-20-21-18)12-22(15)24-16-7-4-3-5-8-16/h3-5,7-13H,2,6H2,1H3,(H,19,20,21)/b10-9+


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