1-[[2-(4-chlorophenyl)sulfanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-5-ium-3-ylidene]methylamino]-3-phenyl-thiourea

Systemtic Name: 1-[[2-(4-chlorophenyl)sulfanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-5-ium-3-ylidene]methylamino]-3-phenyl-thiourea Openeye Name: 1-[[2-(4-chlorophenyl)sulfanyl-4-oxo-pyrido[1,2-a]pyrimidin-5-ium-3-ylidene]methylamino]-3-phenyl-thiourea CAS Name: 1-[[2-[(4-chlorophenyl)thio]-4-oxo-3-pyrido[1,2-a]pyrimidin-5-iumylidene]methylamino]-3-phenylthiourea IUPAC Name: 1-[[2-(4-chlorophenyl)sulfanyl-4-oxopyrido[1,2-a]pyrimidin-5-ium-3-ylidene]methylamino]-3-phenylthiourea Traditional Name: 1-[[2-[(4-chlorophenyl)thio]-4-keto-pyrido[1,2-a]pyrimidin-5-ium-3-ylidene]methylamino]-3-phenyl-thiourea Formula: C22H17ClN5OS2+ MolecularWeight: 466.98628

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)NNC=C2C(=NC3=CC=CC=[N+]3C2=O)SC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)NNC=C2C(=NC3=CC=CC=[N+]3C2=O)SC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H16ClN5OS2/c23-15-9-11-17(12-10-15)31-20-18(21(29)28-13-5-4-8-19(28)26-20)14-24-27-22(30)25-16-6-2-1-3-7-16/h1-14H,(H2,25,27,30)/p+1