N-[(E)-[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]-2-(phenylmethylsulfanyl)ethanamide

Systemtic Name: N-[(E)-[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]-2-(phenylmethylsulfanyl)ethanamide Openeye Name: 2-benzylsulfanyl-N-[(E)-[1-(4-nitrophenyl)pyrrol-2-yl]methyleneamino]acetamide CAS Name: N-[(E)-[1-(4-nitrophenyl)-2-pyrrolyl]methylideneamino]-2-(phenylmethylthio)acetamide IUPAC Name: 2-benzylsulfanyl-N-[(E)-[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]acetamide Traditional Name: 2-(benzylthio)-N-[(E)-[1-(4-nitrophenyl)pyrrol-2-yl]methyleneamino]acetamide Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC(=O)NN=CC2=CC=CN2C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSCC(=O)N/N=C/C2=CC=CN2C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O3S/c25-20(15-28-14-16-5-2-1-3-6-16)22-21-13-19-7-4-12-23(19)17-8-10-18(11-9-17)24(26)27/h1-13H,14-15H2,(H,22,25)/b21-13+