3-(2-nitrophenyl)sulfanyl-1-(pyrimidin-5-ylmethyl)indole-6-carbonitrile

Systemtic Name: 3-(2-nitrophenyl)sulfanyl-1-(pyrimidin-5-ylmethyl)indole-6-carbonitrile Openeye Name: 3-(2-nitrophenyl)sulfanyl-1-(pyrimidin-5-ylmethyl)indole-6-carbonitrile CAS Name: 3-[(2-nitrophenyl)thio]-1-(5-pyrimidinylmethyl)-6-indolecarbonitrile IUPAC Name: 3-(2-nitrophenyl)sulfanyl-1-(pyrimidin-5-ylmethyl)indole-6-carbonitrile Traditional Name: 3-[(2-nitrophenyl)thio]-1-(5-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=CN=CN=C4

Isomeric SMILES

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

InChI

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