2-[3-(1,3-benzoxazol-2-ylsulfanyl)-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzenecarbonitrile

Systemtic Name: 2-[3-(1,3-benzoxazol-2-ylsulfanyl)-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzenecarbonitrile Openeye Name: 2-[3-(1,3-benzoxazol-2-ylsulfanyl)-2,5-dioxo-pyrrolidin-1-yl]benzonitrile CAS Name: 2-[3-(1,3-benzoxazol-2-ylthio)-2,5-dioxo-1-pyrrolidinyl]benzonitrile IUPAC Name: 2-[3-(1,3-benzoxazol-2-ylsulfanyl)-2,5-dioxopyrrolidin-1-yl]benzonitrile Traditional Name: 2-[3-(1,3-benzoxazol-2-ylthio)-2,5-diketo-pyrrolidino]benzonitrile Formula: C18H11N3O3S MolecularWeight: 349.36324

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C1=O)C2=CC=CC=C2C#N)SC3=NC4=CC=CC=C4O3

Isomeric SMILES

C1C(C(=O)N(C1=O)C2=CC=CC=C2C#N)SC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C18H11N3O3S/c19-10-11-5-1-3-7-13(11)21-16(22)9-15(17(21)23)25-18-20-12-6-2-4-8-14(12)24-18/h1-8,15H,9H2