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

Systemtic Name: 1-[[2-(4-methylphenyl)sulfanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-5-ium-3-ylidene]methylamino]-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-3-[[4-oxo-2-(p-tolylsulfanyl)pyrido[1,2-a]pyrimidin-5-ium-3-ylidene]methylamino]thiourea CAS Name: 1-[[2-[(4-methylphenyl)thio]-4-oxo-3-pyrido[1,2-a]pyrimidin-5-iumylidene]methylamino]-3-prop-2-enylthiourea IUPAC Name: 1-[[2-(4-methylphenyl)sulfanyl-4-oxopyrido[1,2-a]pyrimidin-5-ium-3-ylidene]methylamino]-3-prop-2-enylthiourea Traditional Name: 1-allyl-3-[[4-keto-2-(p-tolylthio)pyrido[1,2-a]pyrimidin-5-ium-3-ylidene]methylamino]thiourea Formula: C20H20N5OS2+ MolecularWeight: 410.5357

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC3=CC=CC=[N+]3C(=O)C2=CNNC(=S)NCC=C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC3=CC=CC=[N+]3C(=O)C2=CNNC(=S)NCC=C

InChI

InChI=1S/C20H19N5OS2/c1-3-11-21-20(27)24-22-13-16-18(28-15-9-7-14(2)8-10-15)23-17-6-4-5-12-25(17)19(16)26/h3-10,12-13H,1,11H2,2H3,(H2,21,24,27)/p+1