5-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)sulfanyl-N-prop-2-enyl-1,3,4-thiadiazol-2-amine

Systemtic Name: 5-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)sulfanyl-N-prop-2-enyl-1,3,4-thiadiazol-2-amine Openeye Name: N-allyl-5-[2-nitro-4-(1-piperidylsulfonyl)phenyl]sulfanyl-1,3,4-thiadiazol-2-amine CAS Name: 5-[[2-nitro-4-(1-piperidinylsulfonyl)phenyl]thio]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine IUPAC Name: 5-(2-nitro-4-piperidin-1-ylsulfonylphenyl)sulfanyl-N-prop-2-enyl-1,3,4-thiadiazol-2-amine Traditional Name: allyl-[5-[(2-nitro-4-piperidinosulfonyl-phenyl)thio]-1,3,4-thiadiazol-2-yl]amine Formula: C16H19N5O4S3 MolecularWeight: 441.54816

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NN=C(S1)SC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

C=CCNC1=NN=C(S1)SC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C16H19N5O4S3/c1-2-8-17-15-18-19-16(27-15)26-14-7-6-12(11-13(14)21(22)23)28(24,25)20-9-4-3-5-10-20/h2,6-7,11H,1,3-5,8-10H2,(H,17,18)