(3-butylsulfanylpyridin-4-yl)-(5-methyl-2-sulfanylidene-1,3-dihydroimidazol-4-yl)methanone

Systemtic Name: (3-butylsulfanylpyridin-4-yl)-(5-methyl-2-sulfanylidene-1,3-dihydroimidazol-4-yl)methanone Openeye Name: (3-butylsulfanyl-4-pyridyl)-(5-methyl-2-thioxo-1,3-dihydroimidazol-4-yl)methanone CAS Name: [3-(butylthio)-4-pyridinyl]-(5-methyl-2-sulfanylidene-1,3-dihydroimidazol-4-yl)methanone IUPAC Name: (3-butylsulfanylpyridin-4-yl)-(5-methyl-2-sulfanylidene-1,3-dihydroimidazol-4-yl)methanone Traditional Name: [3-(butylthio)-4-pyridyl]-(5-methyl-2-thioxo-4-imidazolin-4-yl)methanone Formula: C14H17N3OS2 MolecularWeight: 307.43428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=C(C=CN=C1)C(=O)C2=C(NC(=S)N2)C

Isomeric SMILES

CCCCSC1=C(C=CN=C1)C(=O)C2=C(NC(=S)N2)C

InChI

InChI=1S/C14H17N3OS2/c1-3-4-7-20-11-8-15-6-5-10(11)13(18)12-9(2)16-14(19)17-12/h5-6,8H,3-4,7H2,1-2H3,(H2,16,17,19)