N-(1H-indol-5-yl)-2-(3-nitro-4-sulfanyl-phenyl)prop-2-enamide

Systemtic Name: N-(1H-indol-5-yl)-2-(3-nitro-4-sulfanyl-phenyl)prop-2-enamide Openeye Name: N-(1H-indol-5-yl)-2-(3-nitro-4-sulfanyl-phenyl)prop-2-enamide CAS Name: N-(1H-indol-5-yl)-2-(4-mercapto-3-nitrophenyl)-2-propenamide IUPAC Name: N-(1H-indol-5-yl)-2-(3-nitro-4-sulfanylphenyl)prop-2-enamide Traditional Name: N-(1H-indol-5-yl)-2-(4-mercapto-3-nitro-phenyl)acrylamide Formula: C17H13N3O3S MolecularWeight: 339.36842

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C1=CC(=C(C=C1)S)[N+](=O)[O-])C(=O)NC2=CC3=C(C=C2)NC=C3

Isomeric SMILES

C=C(C1=CC(=C(C=C1)S)[N+](=O)[O-])C(=O)NC2=CC3=C(C=C2)NC=C3

InChI

InChI=1S/C17H13N3O3S/c1-10(11-2-5-16(24)15(9-11)20(22)23)17(21)19-13-3-4-14-12(8-13)6-7-18-14/h2-9,18,24H,1H2,(H,19,21)