1-(2-methylsulfanyl-4-oxidanylidene-quinazolin-3-yl)-3-(4-nitrophenyl)thiourea

Systemtic Name: 1-(2-methylsulfanyl-4-oxidanylidene-quinazolin-3-yl)-3-(4-nitrophenyl)thiourea Openeye Name: 1-(2-methylsulfanyl-4-oxo-quinazolin-3-yl)-3-(4-nitrophenyl)thiourea CAS Name: 1-[2-(methylthio)-4-oxo-3-quinazolinyl]-3-(4-nitrophenyl)thiourea IUPAC Name: 1-(2-methylsulfanyl-4-oxoquinazolin-3-yl)-3-(4-nitrophenyl)thiourea Traditional Name: 1-[4-keto-2-(methylthio)quinazolin-3-yl]-3-(4-nitrophenyl)thiourea Formula: C16H13N5O3S2 MolecularWeight: 387.43612

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=CC=CC=C2C(=O)N1NC(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CSC1=NC2=CC=CC=C2C(=O)N1NC(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N5O3S2/c1-26-16-18-13-5-3-2-4-12(13)14(22)20(16)19-15(25)17-10-6-8-11(9-7-10)21(23)24/h2-9H,1H3,(H2,17,19,25)