1-[(4-oxidanylidene-5-phenethyl-2-sulfanylidene-1H-pyrimidin-6-yl)methylideneamino]thiourea

Systemtic Name: 1-[(4-oxidanylidene-5-phenethyl-2-sulfanylidene-1H-pyrimidin-6-yl)methylideneamino]thiourea Openeye Name: [(4-oxo-5-phenethyl-2-thioxo-1H-pyrimidin-6-yl)methyleneamino]thiourea CAS Name: [(4-oxo-5-phenethyl-2-sulfanylidene-1H-pyrimidin-6-yl)methylideneamino]thiourea IUPAC Name: [(4-oxo-5-phenethyl-2-sulfanylidene-1H-pyrimidin-6-yl)methylideneamino]thiourea Traditional Name: [(4-keto-5-phenethyl-2-thioxo-1H-pyrimidin-6-yl)methyleneamino]thiourea Formula: C14H15N5OS2 MolecularWeight: 333.4318

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=C(NC(=S)NC2=O)C=NNC(=S)N

Isomeric SMILES

C1=CC=C(C=C1)CCC2=C(NC(=S)NC2=O)C=NNC(=S)N

InChI

InChI=1S/C14H15N5OS2/c15-13(21)19-16-8-11-10(12(20)18-14(22)17-11)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H3,15,19,21)(H2,17,18,20,22)