5-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]sulfanyl-N-prop-2-enyl-1,3,4-thiadiazol-2-amine

Systemtic Name: 5-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]sulfanyl-N-prop-2-enyl-1,3,4-thiadiazol-2-amine Openeye Name: N-allyl-5-[4-[(4-methyl-1-piperidyl)sulfonyl]-2-nitro-phenyl]sulfanyl-1,3,4-thiadiazol-2-amine CAS Name: 5-[[4-[(4-methyl-1-piperidinyl)sulfonyl]-2-nitrophenyl]thio]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitrophenyl]sulfanyl-N-prop-2-enyl-1,3,4-thiadiazol-2-amine Traditional Name: allyl-[5-[[4-(4-methylpiperidino)sulfonyl-2-nitro-phenyl]thio]-1,3,4-thiadiazol-2-yl]amine Formula: C17H21N5O4S3 MolecularWeight: 455.57474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NN=C(S3)NCC=C)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NN=C(S3)NCC=C)[N+](=O)[O-]

InChI

InChI=1S/C17H21N5O4S3/c1-3-8-18-16-19-20-17(28-16)27-15-5-4-13(11-14(15)22(23)24)29(25,26)21-9-6-12(2)7-10-21/h3-5,11-12H,1,6-10H2,2H3,(H,18,19)