N-butyl-5-[4-(4-chlorophenyl)sulfonylphenyl]-1,3,4-thiadiazol-2-amine

Systemtic Name: N-butyl-5-[4-(4-chlorophenyl)sulfonylphenyl]-1,3,4-thiadiazol-2-amine Openeye Name: N-butyl-5-[4-(4-chlorophenyl)sulfonylphenyl]-1,3,4-thiadiazol-2-amine CAS Name: N-butyl-5-[4-(4-chlorophenyl)sulfonylphenyl]-1,3,4-thiadiazol-2-amine IUPAC Name: N-butyl-5-[4-(4-chlorophenyl)sulfonylphenyl]-1,3,4-thiadiazol-2-amine Traditional Name: butyl-[5-[4-(4-chlorophenyl)sulfonylphenyl]-1,3,4-thiadiazol-2-yl]amine Formula: C18H18ClN3O2S2 MolecularWeight: 407.93742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NN=C(S1)C2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCNC1=NN=C(S1)C2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H18ClN3O2S2/c1-2-3-12-20-18-22-21-17(25-18)13-4-8-15(9-5-13)26(23,24)16-10-6-14(19)7-11-16/h4-11H,2-3,12H2,1H3,(H,20,22)