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

Systemtic Name: 1-[[4-(4-tert-butylpyridin-1-ium-1-yl)-2-oxidanylidene-1,3-thiazol-5-ylidene]methylamino]thiourea Openeye Name: [[4-(4-tert-butylpyridin-1-ium-1-yl)-2-oxo-thiazol-5-ylidene]methylamino]thiourea CAS Name: [[4-(4-tert-butyl-1-pyridin-1-iumyl)-2-oxo-5-thiazolylidene]methylamino]thiourea IUPAC Name: [[4-(4-tert-butylpyridin-1-ium-1-yl)-2-oxo-1,3-thiazol-5-ylidene]methylamino]thiourea Traditional Name: [[4-(4-tert-butylpyridin-1-ium-1-yl)-2-keto-3-thiazolin-5-ylidene]methylamino]thiourea Formula: C14H18N5OS2+ MolecularWeight: 336.45562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N5OS2/c1-14(2,3)9-4-6-19(7-5-9)11-10(22-13(20)17-11)8-16-18-12(15)21/h4-8H,1-3H3,(H3-,15,16,17,18,20,21)/p+1