5-[(S)-benzotriazol-1-ylmethylsulfanyl(phenyl)methyl]-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[(S)-benzotriazol-1-ylmethylsulfanyl(phenyl)methyl]-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(S)-benzotriazol-1-ylmethylsulfanyl(phenyl)methyl]hexahydropyrimidine-2,4,6-trione CAS Name: 5-[(S)-(1-benzotriazolylmethylthio)-phenylmethyl]-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(S)-benzotriazol-1-ylmethylsulfanyl(phenyl)methyl]-1,3-diazinane-2,4,6-trione Traditional Name: 5-[(S)-(benzotriazol-1-ylmethylthio)-phenyl-methyl]barbituric acid Formula: C18H15N5O3S MolecularWeight: 381.4084

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2C(=O)NC(=O)NC2=O)SCN3C4=CC=CC=C4N=N3

Isomeric SMILES

C1=CC=C(C=C1)[C@H](C2C(=O)NC(=O)NC2=O)SCN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C18H15N5O3S/c24-16-14(17(25)20-18(26)19-16)15(11-6-2-1-3-7-11)27-10-23-13-9-5-4-8-12(13)21-22-23/h1-9,14-15H,10H2,(H2,19,20,24,25,26)/t15-/m1/s1