3-(2-nitrophenyl)sulfanyl-1-(pyrimidin-4-ylmethyl)indole-6-carbonitrile

Systemtic Name: 3-(2-nitrophenyl)sulfanyl-1-(pyrimidin-4-ylmethyl)indole-6-carbonitrile Openeye Name: 3-(2-nitrophenyl)sulfanyl-1-(pyrimidin-4-ylmethyl)indole-6-carbonitrile CAS Name: 3-[(2-nitrophenyl)thio]-1-(4-pyrimidinylmethyl)-6-indolecarbonitrile IUPAC Name: 3-(2-nitrophenyl)sulfanyl-1-(pyrimidin-4-ylmethyl)indole-6-carbonitrile Traditional Name: 3-[(2-nitrophenyl)thio]-1-(4-pyrimidylmethyl)indole-6-carbonitrile Formula: C20H13N5O2S MolecularWeight: 387.41452

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)[N+](=O)[O-])SC2=CN(C3=C2C=CC(=C3)C#N)CC4=NC=NC=C4

Isomeric SMILES

C1=CC=C(C(=C1)[N+](=O)[O-])SC2=CN(C3=C2C=CC(=C3)C#N)CC4=NC=NC=C4

InChI

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