[3-azanyl-4-[(phenylmethyl)amino]thieno[2,3-b]pyridin-2-yl]-(3-nitrophenyl)methanone

Systemtic Name: [3-azanyl-4-[(phenylmethyl)amino]thieno[2,3-b]pyridin-2-yl]-(3-nitrophenyl)methanone Openeye Name: [3-amino-4-(benzylamino)thieno[2,3-b]pyridin-2-yl]-(3-nitrophenyl)methanone CAS Name: [3-amino-4-[(phenylmethyl)amino]-2-thieno[2,3-b]pyridinyl]-(3-nitrophenyl)methanone IUPAC Name: [3-amino-4-(benzylamino)thieno[2,3-b]pyridin-2-yl]-(3-nitrophenyl)methanone Traditional Name: [3-amino-4-(benzylamino)thieno[2,3-b]pyridin-2-yl]-(3-nitrophenyl)methanone Formula: C21H16N4O3S MolecularWeight: 404.44174

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C3C(=C(SC3=NC=C2)C(=O)C4=CC(=CC=C4)[N+](=O)[O-])N

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C3C(=C(SC3=NC=C2)C(=O)C4=CC(=CC=C4)[N+](=O)[O-])N

InChI

InChI=1S/C21H16N4O3S/c22-18-17-16(24-12-13-5-2-1-3-6-13)9-10-23-21(17)29-20(18)19(26)14-7-4-8-15(11-14)25(27)28/h1-11H,12,22H2,(H,23,24)