5-azanyl-2-oxidanylidene-1-(2-phenylsulfanylphenyl)-3H-pyrrole-4-carbonitrile

Systemtic Name: 5-azanyl-2-oxidanylidene-1-(2-phenylsulfanylphenyl)-3H-pyrrole-4-carbonitrile Openeye Name: 5-amino-2-oxo-1-(2-phenylsulfanylphenyl)-3H-pyrrole-4-carbonitrile CAS Name: 5-amino-2-oxo-1-[2-(phenylthio)phenyl]-3H-pyrrole-4-carbonitrile IUPAC Name: 5-amino-2-oxo-1-(2-phenylsulfanylphenyl)-3H-pyrrole-4-carbonitrile Traditional Name: 2-amino-5-keto-1-[2-(phenylthio)phenyl]-2-pyrroline-3-carbonitrile Formula: C17H13N3OS MolecularWeight: 307.36962

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N(C1=O)C2=CC=CC=C2SC3=CC=CC=C3)N)C#N

Isomeric SMILES

C1C(=C(N(C1=O)C2=CC=CC=C2SC3=CC=CC=C3)N)C#N

InChI

InChI=1S/C17H13N3OS/c18-11-12-10-16(21)20(17(12)19)14-8-4-5-9-15(14)22-13-6-2-1-3-7-13/h1-9H,10,19H2