5-(3-azanyl-4-methyl-phenyl)-N-octadecyl-2H-1,3,4-thiadiazol-3-amine

Systemtic Name: 5-(3-azanyl-4-methyl-phenyl)-N-octadecyl-2H-1,3,4-thiadiazol-3-amine Openeye Name: 5-(3-amino-4-methyl-phenyl)-N-octadecyl-2H-1,3,4-thiadiazol-3-amine CAS Name: 5-(3-amino-4-methylphenyl)-N-octadecyl-2H-1,3,4-thiadiazol-3-amine IUPAC Name: 5-(3-amino-4-methylphenyl)-N-octadecyl-2H-1,3,4-thiadiazol-3-amine Traditional Name: [5-(3-amino-4-methyl-phenyl)-2H-1,3,4-thiadiazol-3-yl]-stearyl-amine Formula: C27H48N4S MolecularWeight: 460.76182

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNN1CSC(=N1)C2=CC(=C(C=C2)C)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNN1CSC(=N1)C2=CC(=C(C=C2)C)N

InChI

InChI=1S/C27H48N4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-29-31-23-32-27(30-31)25-20-19-24(2)26(28)22-25/h19-20,22,29H,3-18,21,23,28H2,1-2H3