3-[(3-hydroxyphenyl)amino]-1-(phenylmethyl)-4-pyridin-2-ylsulfanyl-pyrrole-2,5-dione

Systemtic Name: 3-[(3-hydroxyphenyl)amino]-1-(phenylmethyl)-4-pyridin-2-ylsulfanyl-pyrrole-2,5-dione Openeye Name: 1-benzyl-3-(3-hydroxyanilino)-4-(2-pyridylsulfanyl)pyrrole-2,5-dione CAS Name: 3-(3-hydroxyanilino)-1-(phenylmethyl)-4-(2-pyridinylthio)pyrrole-2,5-dione IUPAC Name: 1-benzyl-3-(3-hydroxyanilino)-4-pyridin-2-ylsulfanylpyrrole-2,5-dione Traditional Name: 1-benzyl-3-(3-hydroxyanilino)-4-(2-pyridylthio)-3-pyrroline-2,5-quinone Formula: C22H17N3O3S MolecularWeight: 403.45368

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)SC3=CC=CC=N3)NC4=CC(=CC=C4)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)SC3=CC=CC=N3)NC4=CC(=CC=C4)O

InChI

InChI=1S/C22H17N3O3S/c26-17-10-6-9-16(13-17)24-19-20(29-18-11-4-5-12-23-18)22(28)25(21(19)27)14-15-7-2-1-3-8-15/h1-13,24,26H,14H2