2-[[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]methylidene]indene-1,3-dione

Systemtic Name: 2-[[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]methylidene]indene-1,3-dione Openeye Name: 2-[[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]methylene]indane-1,3-dione CAS Name: 2-[[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]methylidene]indene-1,3-dione IUPAC Name: 2-[[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]methylidene]indene-1,3-dione Traditional Name: 2-[[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]methylene]indane-1,3-quinone Formula: C17H17N3O2S MolecularWeight: 327.40078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CSCCNC=C2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC1=C(N=CN1)CSCCNC=C2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C17H17N3O2S/c1-11-15(20-10-19-11)9-23-7-6-18-8-14-16(21)12-4-2-3-5-13(12)17(14)22/h2-5,8,10,18H,6-7,9H2,1H3,(H,19,20)