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

Systemtic Name: 5-(4-heptylphenyl)-1,3,4-thiadiazol-2-amine Openeye Name: 5-(4-heptylphenyl)-1,3,4-thiadiazol-2-amine CAS Name: 5-(4-heptylphenyl)-1,3,4-thiadiazol-2-amine IUPAC Name: 5-(4-heptylphenyl)-1,3,4-thiadiazol-2-amine Traditional Name: [5-(4-heptylphenyl)-1,3,4-thiadiazol-2-yl]amine Formula: C15H21N3S MolecularWeight: 275.41234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=NN=C(S2)N

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=NN=C(S2)N

InChI

InChI=1S/C15H21N3S/c1-2-3-4-5-6-7-12-8-10-13(11-9-12)14-17-18-15(16)19-14/h8-11H,2-7H2,1H3,(H2,16,18)