6,7-bis(methylsulfanyl)-2-(phenylmethyl)isoquinoline-3,5,8-trione

Systemtic Name: 6,7-bis(methylsulfanyl)-2-(phenylmethyl)isoquinoline-3,5,8-trione Openeye Name: 2-benzyl-6,7-bis(methylsulfanyl)isoquinoline-3,5,8-trione CAS Name: 6,7-bis(methylthio)-2-(phenylmethyl)isoquinoline-3,5,8-trione IUPAC Name: 2-benzyl-6,7-bis(methylsulfanyl)isoquinoline-3,5,8-trione Traditional Name: 2-benzyl-6,7-bis(methylthio)isoquinoline-3,5,8-trione Formula: C18H15NO3S2 MolecularWeight: 357.4466

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=O)C2=CN(C(=O)C=C2C1=O)CC3=CC=CC=C3)SC

Isomeric SMILES

CSC1=C(C(=O)C2=CN(C(=O)C=C2C1=O)CC3=CC=CC=C3)SC

InChI

InChI=1S/C18H15NO3S2/c1-23-17-15(21)12-8-14(20)19(9-11-6-4-3-5-7-11)10-13(12)16(22)18(17)24-2/h3-8,10H,9H2,1-2H3