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

Systemtic Name: N-methyl-5-[4-(3-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]sulfanyl-1,3,4-thiadiazol-2-amine Openeye Name: N-methyl-5-[4-[(3-methyl-1-piperidyl)sulfonyl]-2-nitro-phenyl]sulfanyl-1,3,4-thiadiazol-2-amine CAS Name: N-methyl-5-[[4-[(3-methyl-1-piperidinyl)sulfonyl]-2-nitrophenyl]thio]-1,3,4-thiadiazol-2-amine IUPAC Name: N-methyl-5-[4-(3-methylpiperidin-1-yl)sulfonyl-2-nitrophenyl]sulfanyl-1,3,4-thiadiazol-2-amine Traditional Name: methyl-[5-[[4-(3-methylpiperidino)sulfonyl-2-nitro-phenyl]thio]-1,3,4-thiadiazol-2-yl]amine Formula: C15H19N5O4S3 MolecularWeight: 429.53746

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NN=C(S3)NC)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NN=C(S3)NC)[N+](=O)[O-]

InChI

InChI=1S/C15H19N5O4S3/c1-10-4-3-7-19(9-10)27(23,24)11-5-6-13(12(8-11)20(21)22)25-15-18-17-14(16-2)26-15/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,16,17)