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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC=[N+](C=C2)C3=NC(=O)SC3=CNNC(=S)N

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC=[N+](C=C2)C3=NC(=O)SC3=CNNC(=S)N

InChI

InChI=1S/C17H15N5OS2/c18-16(24)21-19-11-14-15(20-17(23)25-14)22-8-6-13(7-9-22)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H3-,18,19,20,21,23,24)/p+1