3-butyl-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-3H-furan-2-one

Systemtic Name: 3-butyl-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-3H-furan-2-one Openeye Name: 3-butyl-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-3H-furan-2-one CAS Name: 3-butyl-5-[(1H-1,2,4-triazol-5-ylthio)methyl]-3H-furan-2-one IUPAC Name: 3-butyl-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-3H-furan-2-one Traditional Name: 3-butyl-5-[(1H-1,2,4-triazol-5-ylthio)methyl]-3H-furan-2-one Formula: C11H15N3O2S MolecularWeight: 253.3207

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C=C(OC1=O)CSC2=NC=NN2

Isomeric SMILES

CCCCC1C=C(OC1=O)CSC2=NC=NN2

InChI

InChI=1S/C11H15N3O2S/c1-2-3-4-8-5-9(16-10(8)15)6-17-11-12-7-13-14-11/h5,7-8H,2-4,6H2,1H3,(H,12,13,14)