2-azanyl-4-(3-nitrophenyl)-6-(phenylmethylsulfanyl)pyridine-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-4-(3-nitrophenyl)-6-(phenylmethylsulfanyl)pyridine-3,5-dicarbonitrile Openeye Name: 2-amino-6-benzylsulfanyl-4-(3-nitrophenyl)pyridine-3,5-dicarbonitrile CAS Name: 2-amino-4-(3-nitrophenyl)-6-(phenylmethylthio)pyridine-3,5-dicarbonitrile IUPAC Name: 2-amino-6-benzylsulfanyl-4-(3-nitrophenyl)pyridine-3,5-dicarbonitrile Traditional Name: 2-amino-6-(benzylthio)-4-(3-nitrophenyl)dinicotinonitrile Formula: C20H13N5O2S MolecularWeight: 387.41452

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C(C(=C(C(=N2)N)C#N)C3=CC(=CC=C3)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C(C(=C(C(=N2)N)C#N)C3=CC(=CC=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C20H13N5O2S/c21-10-16-18(14-7-4-8-15(9-14)25(26)27)17(11-22)20(24-19(16)23)28-12-13-5-2-1-3-6-13/h1-9H,12H2,(H2,23,24)