1-[(E)-(2-azanylidene-3-cyano-4-oxidanidyl-1-oxidanyl-quinoxalin-4-ium-6-yl)methylideneamino]-3-prop-2-enyl-thiourea

Systemtic Name: 1-[(E)-(2-azanylidene-3-cyano-4-oxidanidyl-1-oxidanyl-quinoxalin-4-ium-6-yl)methylideneamino]-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-3-[(E)-(3-cyano-1-hydroxy-2-imino-4-oxido-quinoxalin-4-ium-6-yl)methyleneamino]thiourea CAS Name: 1-[(E)-(3-cyano-1-hydroxy-2-imino-4-oxido-6-quinoxalin-4-iumyl)methylideneamino]-3-prop-2-enylthiourea IUPAC Name: 1-[(E)-(3-cyano-1-hydroxy-2-imino-4-oxidoquinoxalin-4-ium-6-yl)methylideneamino]-3-prop-2-enylthiourea Traditional Name: 1-allyl-3-[(E)-(3-cyano-1-hydroxy-2-imino-4-oxido-quinoxalin-4-ium-6-yl)methyleneamino]thiourea Formula: C14H13N7O2S MolecularWeight: 343.36372

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)NN=CC1=CC2=C(C=C1)N(C(=N)C(=[N+]2[O-])C#N)O

Isomeric SMILES

C=CCNC(=S)N/N=C/C1=CC2=C(C=C1)N(C(=N)C(=[N+]2[O-])C#N)O

InChI

InChI=1S/C14H13N7O2S/c1-2-5-17-14(24)19-18-8-9-3-4-10-11(6-9)20(22)12(7-15)13(16)21(10)23/h2-4,6,8,16,23H,1,5H2,(H2,17,19,24)/b16-13?,18-8+