N-(3-nitrophenyl)-2-[[5-(oxolan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide

Systemtic Name: N-(3-nitrophenyl)-2-[[5-(oxolan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide Openeye Name: N-(3-nitrophenyl)-2-[[5-(tetrahydrofuran-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide CAS Name: N-(3-nitrophenyl)-2-[[5-(2-oxolanylmethylamino)-1,3,4-thiadiazol-2-yl]thio]propanamide IUPAC Name: N-(3-nitrophenyl)-2-[[5-(oxolan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide Traditional Name: N-(3-nitrophenyl)-2-[[5-(tetrahydrofurfurylamino)-1,3,4-thiadiazol-2-yl]thio]propionamide Formula: C16H19N5O4S2 MolecularWeight: 409.48316

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])SC2=NN=C(S2)NCC3CCCO3

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])SC2=NN=C(S2)NCC3CCCO3

InChI

InChI=1S/C16H19N5O4S2/c1-10(14(22)18-11-4-2-5-12(8-11)21(23)24)26-16-20-19-15(27-16)17-9-13-6-3-7-25-13/h2,4-5,8,10,13H,3,6-7,9H2,1H3,(H,17,19)(H,18,22)