1-[[2-oxidanylidene-4-(4-propan-2-ylpyridin-1-ium-1-yl)-1,3-thiazol-5-ylidene]methylamino]thiourea

Systemtic Name: 1-[[2-oxidanylidene-4-(4-propan-2-ylpyridin-1-ium-1-yl)-1,3-thiazol-5-ylidene]methylamino]thiourea Openeye Name: [[4-(4-isopropylpyridin-1-ium-1-yl)-2-oxo-thiazol-5-ylidene]methylamino]thiourea CAS Name: [[2-oxo-4-(4-propan-2-yl-1-pyridin-1-iumyl)-5-thiazolylidene]methylamino]thiourea IUPAC Name: [[2-oxo-4-(4-propan-2-ylpyridin-1-ium-1-yl)-1,3-thiazol-5-ylidene]methylamino]thiourea Traditional Name: [[4-(4-isopropylpyridin-1-ium-1-yl)-2-keto-3-thiazolin-5-ylidene]methylamino]thiourea Formula: C13H16N5OS2+ MolecularWeight: 322.42904

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=[N+](C=C1)C2=NC(=O)SC2=CNNC(=S)N

Isomeric SMILES

CC(C)C1=CC=[N+](C=C1)C2=NC(=O)SC2=CNNC(=S)N

InChI

InChI=1S/C13H15N5OS2/c1-8(2)9-3-5-18(6-4-9)11-10(21-13(19)16-11)7-15-17-12(14)20/h3-8H,1-2H3,(H3-,14,15,16,17,19,20)/p+1