5-[[(4S)-5-nitro-4-phenyl-pentan-2-ylidene]amino]-1,3,4-thiadiazole-2-sulfonamide

Systemtic Name: 5-[[(4S)-5-nitro-4-phenyl-pentan-2-ylidene]amino]-1,3,4-thiadiazole-2-sulfonamide Openeye Name: 5-[[(3S)-1-methyl-4-nitro-3-phenyl-butylidene]amino]-1,3,4-thiadiazole-2-sulfonamide CAS Name: 5-[[(4S)-5-nitro-4-phenylpentan-2-ylidene]amino]-1,3,4-thiadiazole-2-sulfonamide IUPAC Name: 5-[[(4S)-5-nitro-4-phenylpentan-2-ylidene]amino]-1,3,4-thiadiazole-2-sulfonamide Traditional Name: 5-[[(3S)-1-methyl-4-nitro-3-phenyl-butylidene]amino]-1,3,4-thiadiazole-2-sulfonamide Formula: C13H15N5O4S2 MolecularWeight: 369.4193

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NC1=NN=C(S1)S(=O)(=O)N)CC(C[N+](=O)[O-])C2=CC=CC=C2

Isomeric SMILES

CC(=NC1=NN=C(S1)S(=O)(=O)N)C[C@H](C[N+](=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C13H15N5O4S2/c1-9(15-12-16-17-13(23-12)24(14,21)22)7-11(8-18(19)20)10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H2,14,21,22)/t11-/m1/s1