1-oxidanylidene-N3-(7-pyrrolidin-1-ylhept-5-ynyl)-1,2,5-thiadiazole-3,4-diamine

Systemtic Name: 1-oxidanylidene-N3-(7-pyrrolidin-1-ylhept-5-ynyl)-1,2,5-thiadiazole-3,4-diamine Openeye Name: 1-oxo-N3-(7-pyrrolidin-1-ylhept-5-ynyl)-1,2,5-thiadiazole-3,4-diamine CAS Name: 1-oxo-N3-[7-(1-pyrrolidinyl)hept-5-ynyl]-1,2,5-thiadiazole-3,4-diamine IUPAC Name: 1-oxo-3-N-(7-pyrrolidin-1-ylhept-5-ynyl)-1,2,5-thiadiazole-3,4-diamine Traditional Name: (4-amino-1-keto-1,2,5-thiadiazol-3-yl)-(7-pyrrolidinohept-5-ynyl)amine Formula: C13H21N5OS MolecularWeight: 295.40374

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC#CCCCCNC2=NS(=O)N=C2N

Isomeric SMILES

C1CCN(C1)CC#CCCCCNC2=NS(=O)N=C2N

InChI

InChI=1S/C13H21N5OS/c14-12-13(17-20(19)16-12)15-8-4-2-1-3-5-9-18-10-6-7-11-18/h1-2,4,6-11H2,(H2,14,16)(H,15,17)