1-[(1Z)-1-(7-methoxy-3-methyl-4-oxidanidyl-1-oxidanyl-quinoxalin-4-ium-2-ylidene)ethyl]iminothiourea

Systemtic Name: 1-[(1Z)-1-(7-methoxy-3-methyl-4-oxidanidyl-1-oxidanyl-quinoxalin-4-ium-2-ylidene)ethyl]iminothiourea Openeye Name: [(1Z)-1-(1-hydroxy-7-methoxy-3-methyl-4-oxido-quinoxalin-4-ium-2-ylidene)ethyl]iminothiourea CAS Name: [(1Z)-1-(1-hydroxy-7-methoxy-3-methyl-4-oxido-2-quinoxalin-4-iumylidene)ethyl]iminothiourea IUPAC Name: [(1Z)-1-(1-hydroxy-7-methoxy-3-methyl-4-oxidoquinoxalin-4-ium-2-ylidene)ethyl]iminothiourea Traditional Name: [(1Z)-1-(1-hydroxy-7-methoxy-3-methyl-4-oxido-quinoxalin-4-ium-2-ylidene)ethyl]iminothiourea Formula: C13H15N5O3S MolecularWeight: 321.3549

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(C=C(C=C2)OC)N(C1=C(C)N=NC(=S)N)O)[O-]

Isomeric SMILES

CC\1=[N+](C2=C(C=C(C=C2)OC)N(/C1=C(/C)\N=NC(=S)N)O)[O-]

InChI

InChI=1S/C13H15N5O3S/c1-7(15-16-13(14)22)12-8(2)17(19)10-5-4-9(21-3)6-11(10)18(12)20/h4-6,20H,1-3H3,(H2,14,22)/b12-7-,16-15?