S-azanyl 1,4-bis(oxidanylidene)-6,7-bis(phenylazanyl)-3H-phthalazine-2-carbothioate

Systemtic Name: S-azanyl 1,4-bis(oxidanylidene)-6,7-bis(phenylazanyl)-3H-phthalazine-2-carbothioate Openeye Name: S-amino 6,7-dianilino-1,4-dioxo-3H-phthalazine-2-carbothioate CAS Name: 6,7-dianilino-1,4-dioxo-3H-phthalazine-2-carbothioic acid S-amino ester IUPAC Name: S-amino 6,7-dianilino-1,4-dioxo-3H-phthalazine-2-carbothioate Traditional Name: 6,7-dianilino-1,4-diketo-3H-phthalazine-2-carbothioic acid S-amino ester Formula: C21H17N5O3S MolecularWeight: 419.45638

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=C(C=C3C(=C2)C(=O)NN(C3=O)C(=O)SN)NC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)NC2=C(C=C3C(=C2)C(=O)NN(C3=O)C(=O)SN)NC4=CC=CC=C4

InChI

InChI=1S/C21H17N5O3S/c22-30-21(29)26-20(28)16-12-18(24-14-9-5-2-6-10-14)17(11-15(16)19(27)25-26)23-13-7-3-1-4-8-13/h1-12,23-24H,22H2,(H,25,27)