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

Systemtic Name: (E)-3-(1-phenylsulfanyl-4-propyl-pyrrol-2-yl)-1-(1H-1,2,4-triazol-5-yl)prop-2-en-1-one Openeye Name: (E)-3-(1-phenylsulfanyl-4-propyl-pyrrol-2-yl)-1-(1H-1,2,4-triazol-5-yl)prop-2-en-1-one CAS Name: (E)-3-[1-(phenylthio)-4-propyl-2-pyrrolyl]-1-(1H-1,2,4-triazol-5-yl)-2-propen-1-one IUPAC Name: (E)-3-(1-phenylsulfanyl-4-propylpyrrol-2-yl)-1-(1H-1,2,4-triazol-5-yl)prop-2-en-1-one Traditional Name: (E)-3-[1-(phenylthio)-4-propyl-pyrrol-2-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=CN(C(=C1)C=CC(=O)C2=NC=NN2)SC3=CC=CC=C3

Isomeric SMILES

CCCC1=CN(C(=C1)/C=C/C(=O)C2=NC=NN2)SC3=CC=CC=C3

InChI

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