5-(4-heptoxyphenyl)-1,3,4-thiadiazol-2-amine

Systemtic Name: 5-(4-heptoxyphenyl)-1,3,4-thiadiazol-2-amine Openeye Name: 5-(4-heptoxyphenyl)-1,3,4-thiadiazol-2-amine CAS Name: 5-(4-heptoxyphenyl)-1,3,4-thiadiazol-2-amine IUPAC Name: 5-(4-heptoxyphenyl)-1,3,4-thiadiazol-2-amine Traditional Name: [5-(4-heptoxyphenyl)-1,3,4-thiadiazol-2-yl]amine Formula: C15H21N3OS MolecularWeight: 291.41174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2=NN=C(S2)N

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2=NN=C(S2)N

InChI

InChI=1S/C15H21N3OS/c1-2-3-4-5-6-11-19-13-9-7-12(8-10-13)14-17-18-15(16)20-14/h7-10H,2-6,11H2,1H3,(H2,16,18)