4-[azanyl-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]methylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[azanyl-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]methylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[amino-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]methylene]cyclohexa-2,5-dien-1-one CAS Name: 4-[amino-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]methylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[amino-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]methylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[amino-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]methylene]cyclohexa-2,5-dien-1-one Formula: C14H18N4OS MolecularWeight: 290.38392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CSCCNC(=C2C=CC(=O)C=C2)N

Isomeric SMILES

CC1=C(N=CN1)CSCCNC(=C2C=CC(=O)C=C2)N

InChI

InChI=1S/C14H18N4OS/c1-10-13(18-9-17-10)8-20-7-6-16-14(15)11-2-4-12(19)5-3-11/h2-5,9,16H,6-8,15H2,1H3,(H,17,18)