1-[3,5-bis(2-oxidanylidenepropyl)-1,2,4-triazol-4-yl]-3-phenyl-thiourea

Systemtic Name: 1-[3,5-bis(2-oxidanylidenepropyl)-1,2,4-triazol-4-yl]-3-phenyl-thiourea Openeye Name: 1-(3,5-diacetonyl-1,2,4-triazol-4-yl)-3-phenyl-thiourea CAS Name: 1-[3,5-bis(2-oxopropyl)-1,2,4-triazol-4-yl]-3-phenylthiourea IUPAC Name: 1-[3,5-bis(2-oxopropyl)-1,2,4-triazol-4-yl]-3-phenylthiourea Traditional Name: 1-(3,5-diacetonyl-1,2,4-triazol-4-yl)-3-phenyl-thiourea Formula: C15H17N5O2S MolecularWeight: 331.39278

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1=NN=C(N1NC(=S)NC2=CC=CC=C2)CC(=O)C

Isomeric SMILES

CC(=O)CC1=NN=C(N1NC(=S)NC2=CC=CC=C2)CC(=O)C

InChI

InChI=1S/C15H17N5O2S/c1-10(21)8-13-17-18-14(9-11(2)22)20(13)19-15(23)16-12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3,(H2,16,19,23)