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

Systemtic Name: 3-(2-nitrophenyl)sulfanyl-2-(pyrimidin-5-ylmethyl)-1H-indole-6-carboxamide Openeye Name: 3-(2-nitrophenyl)sulfanyl-2-(pyrimidin-5-ylmethyl)-1H-indole-6-carboxamide CAS Name: 3-[(2-nitrophenyl)thio]-2-(5-pyrimidinylmethyl)-1H-indole-6-carboxamide IUPAC Name: 3-(2-nitrophenyl)sulfanyl-2-(pyrimidin-5-ylmethyl)-1H-indole-6-carboxamide Traditional Name: 3-[(2-nitrophenyl)thio]-2-(5-pyrimidylmethyl)-1H-indole-6-carboxamide Formula: C20H15N5O3S MolecularWeight: 405.4298

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)[N+](=O)[O-])SC2=C(NC3=C2C=CC(=C3)C(=O)N)CC4=CN=CN=C4

Isomeric SMILES

C1=CC=C(C(=C1)[N+](=O)[O-])SC2=C(NC3=C2C=CC(=C3)C(=O)N)CC4=CN=CN=C4

InChI

InChI=1S/C20H15N5O3S/c21-20(26)13-5-6-14-15(8-13)24-16(7-12-9-22-11-23-10-12)19(14)29-18-4-2-1-3-17(18)25(27)28/h1-6,8-11,24H,7H2,(H2,21,26)