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

Systemtic Name: 1-[[4-(3-methylpyridin-1-ium-1-yl)-2-oxidanylidene-1,3-thiazol-5-ylidene]methylamino]-3-phenyl-thiourea Openeye Name: 1-[[4-(3-methylpyridin-1-ium-1-yl)-2-oxo-thiazol-5-ylidene]methylamino]-3-phenyl-thiourea CAS Name: 1-[[4-(3-methyl-1-pyridin-1-iumyl)-2-oxo-5-thiazolylidene]methylamino]-3-phenylthiourea IUPAC Name: 1-[[4-(3-methylpyridin-1-ium-1-yl)-2-oxo-1,3-thiazol-5-ylidene]methylamino]-3-phenylthiourea Traditional Name: 1-[[2-keto-4-(3-methylpyridin-1-ium-1-yl)-3-thiazolin-5-ylidene]methylamino]-3-phenyl-thiourea Formula: C17H16N5OS2+ MolecularWeight: 370.47184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)C2=NC(=O)SC2=CNNC(=S)NC3=CC=CC=C3

Isomeric SMILES

CC1=C[N+](=CC=C1)C2=NC(=O)SC2=CNNC(=S)NC3=CC=CC=C3

InChI

InChI=1S/C17H15N5OS2/c1-12-6-5-9-22(11-12)15-14(25-17(23)20-15)10-18-21-16(24)19-13-7-3-2-4-8-13/h2-11H,1H3,(H2-,18,19,20,21,23,24)/p+1