1,3-bis(3-methyl-5-oxidanylidene-6-phenyl-1,2,4-triazin-4-yl)thiourea

Systemtic Name: 1,3-bis(3-methyl-5-oxidanylidene-6-phenyl-1,2,4-triazin-4-yl)thiourea Openeye Name: 1,3-bis(3-methyl-5-oxo-6-phenyl-1,2,4-triazin-4-yl)thiourea CAS Name: 1,3-bis(3-methyl-5-oxo-6-phenyl-1,2,4-triazin-4-yl)thiourea IUPAC Name: 1,3-bis(3-methyl-5-oxo-6-phenyl-1,2,4-triazin-4-yl)thiourea Traditional Name: 1,3-bis(5-keto-3-methyl-6-phenyl-1,2,4-triazin-4-yl)thiourea Formula: C21H18N8O2S MolecularWeight: 446.48502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(C(=O)N1NC(=S)NN2C(=NN=C(C2=O)C3=CC=CC=C3)C)C4=CC=CC=C4

Isomeric SMILES

CC1=NN=C(C(=O)N1NC(=S)NN2C(=NN=C(C2=O)C3=CC=CC=C3)C)C4=CC=CC=C4

InChI

InChI=1S/C21H18N8O2S/c1-13-22-24-17(15-9-5-3-6-10-15)19(30)28(13)26-21(32)27-29-14(2)23-25-18(20(29)31)16-11-7-4-8-12-16/h3-12H,1-2H3,(H2,26,27,32)