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

Systemtic Name: 1-[[4-(3-ethylpyridin-1-ium-1-yl)-2-oxidanylidene-1,3-thiazol-5-ylidene]methylamino]thiourea Openeye Name: [[4-(3-ethylpyridin-1-ium-1-yl)-2-oxo-thiazol-5-ylidene]methylamino]thiourea CAS Name: [[4-(3-ethyl-1-pyridin-1-iumyl)-2-oxo-5-thiazolylidene]methylamino]thiourea IUPAC Name: [[4-(3-ethylpyridin-1-ium-1-yl)-2-oxo-1,3-thiazol-5-ylidene]methylamino]thiourea Traditional Name: [[4-(3-ethylpyridin-1-ium-1-yl)-2-keto-3-thiazolin-5-ylidene]methylamino]thiourea Formula: C12H14N5OS2+ MolecularWeight: 308.40246

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C[N+](=CC=C1)C2=NC(=O)SC2=CNNC(=S)N

Isomeric SMILES

CCC1=C[N+](=CC=C1)C2=NC(=O)SC2=CNNC(=S)N

InChI

InChI=1S/C12H13N5OS2/c1-2-8-4-3-5-17(7-8)10-9(20-12(18)15-10)6-14-16-11(13)19/h3-7H,2H2,1H3,(H3-,13,14,15,16,18,19)/p+1