N-[5-propyl-3-(4-pyrrolidin-1-ylbut-2-ynyl)-1,3,4-thiadiazol-2-ylidene]benzamide

Systemtic Name: N-[5-propyl-3-(4-pyrrolidin-1-ylbut-2-ynyl)-1,3,4-thiadiazol-2-ylidene]benzamide Openeye Name: N-[5-propyl-3-(4-pyrrolidin-1-ylbut-2-ynyl)-1,3,4-thiadiazol-2-ylidene]benzamide CAS Name: N-[5-propyl-3-[4-(1-pyrrolidinyl)but-2-ynyl]-1,3,4-thiadiazol-2-ylidene]benzamide IUPAC Name: N-[5-propyl-3-(4-pyrrolidin-1-ylbut-2-ynyl)-1,3,4-thiadiazol-2-ylidene]benzamide Traditional Name: N-[5-propyl-3-(4-pyrrolidinobut-2-ynyl)-1,3,4-thiadiazol-2-ylidene]benzamide Formula: C20H24N4OS MolecularWeight: 368.49576

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=NC(=O)C2=CC=CC=C2)S1)CC#CCN3CCCC3

Isomeric SMILES

CCCC1=NN(C(=NC(=O)C2=CC=CC=C2)S1)CC#CCN3CCCC3

InChI

InChI=1S/C20H24N4OS/c1-2-10-18-22-24(16-9-8-15-23-13-6-7-14-23)20(26-18)21-19(25)17-11-4-3-5-12-17/h3-5,11-12H,2,6-7,10,13-16H2,1H3