5-(4-nitrophenyl)-3-(4-piperidin-1-ylbut-2-ynyl)-1,3,4-thiadiazol-2-one

Systemtic Name: 5-(4-nitrophenyl)-3-(4-piperidin-1-ylbut-2-ynyl)-1,3,4-thiadiazol-2-one Openeye Name: 5-(4-nitrophenyl)-3-[4-(1-piperidyl)but-2-ynyl]-1,3,4-thiadiazol-2-one CAS Name: 5-(4-nitrophenyl)-3-[4-(1-piperidinyl)but-2-ynyl]-1,3,4-thiadiazol-2-one IUPAC Name: 5-(4-nitrophenyl)-3-(4-piperidin-1-ylbut-2-ynyl)-1,3,4-thiadiazol-2-one Traditional Name: 5-(4-nitrophenyl)-3-(4-piperidinobut-2-ynyl)-1,3,4-thiadiazol-2-one Formula: C17H18N4O3S MolecularWeight: 358.41482

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC#CCN2C(=O)SC(=N2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)CC#CCN2C(=O)SC(=N2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H18N4O3S/c22-17-20(13-5-4-12-19-10-2-1-3-11-19)18-16(25-17)14-6-8-15(9-7-14)21(23)24/h6-9H,1-3,10-13H2