2-(azepan-1-yl)-5-pyrrol-1-yl-1,3,4-thiadiazole

Systemtic Name: 2-(azepan-1-yl)-5-pyrrol-1-yl-1,3,4-thiadiazole Openeye Name: 2-(azepan-1-yl)-5-pyrrol-1-yl-1,3,4-thiadiazole CAS Name: 2-(1-azepanyl)-5-(1-pyrrolyl)-1,3,4-thiadiazole IUPAC Name: 2-(azepan-1-yl)-5-pyrrol-1-yl-1,3,4-thiadiazole Traditional Name: 2-(azepan-1-yl)-5-pyrrol-1-yl-1,3,4-thiadiazole Formula: C12H16N4S MolecularWeight: 248.34724

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NN=C(S2)N3C=CC=C3

Isomeric SMILES

C1CCCN(CC1)C2=NN=C(S2)N3C=CC=C3

InChI

InChI=1S/C12H16N4S/c1-2-4-8-15(7-3-1)11-13-14-12(17-11)16-9-5-6-10-16/h5-6,9-10H,1-4,7-8H2