2-azanyl-6-pent-1-ynyl-N-[(5-phenoxythiophen-2-yl)methyl]pyridine-3-carboxamide

Systemtic Name: 2-azanyl-6-pent-1-ynyl-N-[(5-phenoxythiophen-2-yl)methyl]pyridine-3-carboxamide Openeye Name: 2-amino-6-pent-1-ynyl-N-[(5-phenoxy-2-thienyl)methyl]pyridine-3-carboxamide CAS Name: 2-amino-6-pent-1-ynyl-N-[(5-phenoxy-2-thiophenyl)methyl]-3-pyridinecarboxamide IUPAC Name: 2-amino-6-pent-1-ynyl-N-[(5-phenoxythiophen-2-yl)methyl]pyridine-3-carboxamide Traditional Name: 2-amino-6-pent-1-ynyl-N-[(5-phenoxy-2-thienyl)methyl]nicotinamide Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CC1=NC(=C(C=C1)C(=O)NCC2=CC=C(S2)OC3=CC=CC=C3)N

Isomeric SMILES

CCCC#CC1=NC(=C(C=C1)C(=O)NCC2=CC=C(S2)OC3=CC=CC=C3)N

InChI

InChI=1S/C22H21N3O2S/c1-2-3-5-8-16-11-13-19(21(23)25-16)22(26)24-15-18-12-14-20(28-18)27-17-9-6-4-7-10-17/h4,6-7,9-14H,2-3,15H2,1H3,(H2,23,25)(H,24,26)