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

Systemtic Name: 1-[[4-(3-ethylpyridin-1-ium-1-yl)-2-oxidanylidene-1,3-thiazol-5-ylidene]methylamino]-3-phenyl-thiourea Openeye Name: 1-[[4-(3-ethylpyridin-1-ium-1-yl)-2-oxo-thiazol-5-ylidene]methylamino]-3-phenyl-thiourea CAS Name: 1-[[4-(3-ethyl-1-pyridin-1-iumyl)-2-oxo-5-thiazolylidene]methylamino]-3-phenylthiourea IUPAC Name: 1-[[4-(3-ethylpyridin-1-ium-1-yl)-2-oxo-1,3-thiazol-5-ylidene]methylamino]-3-phenylthiourea Traditional Name: 1-[[4-(3-ethylpyridin-1-ium-1-yl)-2-keto-3-thiazolin-5-ylidene]methylamino]-3-phenyl-thiourea Formula: C18H18N5OS2+ MolecularWeight: 384.49842

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C[N+](=CC=C1)C2=NC(=O)SC2=CNNC(=S)NC3=CC=CC=C3

Isomeric SMILES

CCC1=C[N+](=CC=C1)C2=NC(=O)SC2=CNNC(=S)NC3=CC=CC=C3

InChI

InChI=1S/C18H17N5OS2/c1-2-13-7-6-10-23(12-13)16-15(26-18(24)21-16)11-19-22-17(25)20-14-8-4-3-5-9-14/h3-12H,2H2,1H3,(H2-,19,20,21,22,24,25)/p+1