1-[(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]-3-(2-phenylsulfanylethyl)thiourea

Systemtic Name: 1-[(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]-3-(2-phenylsulfanylethyl)thiourea Openeye Name: 1-[(3-methyl-4-oxo-phthalazine-1-carbonyl)amino]-3-(2-phenylsulfanylethyl)thiourea CAS Name: 1-[[(3-methyl-4-oxo-1-phthalazinyl)-oxomethyl]amino]-3-[2-(phenylthio)ethyl]thiourea IUPAC Name: 1-[(3-methyl-4-oxophthalazine-1-carbonyl)amino]-3-(2-phenylsulfanylethyl)thiourea Traditional Name: 1-[(4-keto-3-methyl-phthalazine-1-carbonyl)amino]-3-[2-(phenylthio)ethyl]thiourea Formula: C19H19N5O2S2 MolecularWeight: 413.51646

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=S)NCCSC3=CC=CC=C3

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=S)NCCSC3=CC=CC=C3

InChI

InChI=1S/C19H19N5O2S2/c1-24-18(26)15-10-6-5-9-14(15)16(23-24)17(25)21-22-19(27)20-11-12-28-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,21,25)(H2,20,22,27)