1-[(4-cyano-3-methyl-1-oxidanylidene-5aH-pyrido[1,2-a]benzimidazol-10-ium-2-ylidene)methylamino]thiourea

Systemtic Name: 1-[(4-cyano-3-methyl-1-oxidanylidene-5aH-pyrido[1,2-a]benzimidazol-10-ium-2-ylidene)methylamino]thiourea Openeye Name: [(4-cyano-3-methyl-1-oxo-5aH-pyrido[1,2-a]benzimidazol-10-ium-2-ylidene)methylamino]thiourea CAS Name: [(4-cyano-3-methyl-1-oxo-5aH-pyrido[1,2-a]benzimidazol-10-ium-2-ylidene)methylamino]thiourea IUPAC Name: [(4-cyano-3-methyl-1-oxo-5aH-pyrido[1,2-a]benzimidazol-10-ium-2-ylidene)methylamino]thiourea Traditional Name: [(4-cyano-1-keto-3-methyl-5aH-pyrido[1,2-a]benzimidazol-10-ium-2-ylidene)methylamino]thiourea Formula: C15H13N6OS+ MolecularWeight: 325.36832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC3C=CC=CC3=[N+]2C(=O)C1=CNNC(=S)N)C#N

Isomeric SMILES

CC1=C(C2=NC3C=CC=CC3=[N+]2C(=O)C1=CNNC(=S)N)C#N

InChI

InChI=1S/C15H12N6OS/c1-8-9(6-16)13-19-11-4-2-3-5-12(11)21(13)14(22)10(8)7-18-20-15(17)23/h2-5,7,11H,1H3,(H3-,17,18,19,20,22,23)/p+1