3-(azocan-1-ylmethyl)-5-[(2-methylphenyl)amino]-1,3,4-thiadiazole-2-thione

Systemtic Name: 3-(azocan-1-ylmethyl)-5-[(2-methylphenyl)amino]-1,3,4-thiadiazole-2-thione Openeye Name: 3-(azocan-1-ylmethyl)-5-(2-methylanilino)-1,3,4-thiadiazole-2-thione CAS Name: 3-(1-azocanylmethyl)-5-(2-methylanilino)-1,3,4-thiadiazole-2-thione IUPAC Name: 3-(azocan-1-ylmethyl)-5-(2-methylanilino)-1,3,4-thiadiazole-2-thione Traditional Name: 3-(azocan-1-ylmethyl)-5-(o-toluidino)-1,3,4-thiadiazole-2-thione Formula: C17H24N4S2 MolecularWeight: 348.52926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NN(C(=S)S2)CN3CCCCCCC3

Isomeric SMILES

CC1=CC=CC=C1NC2=NN(C(=S)S2)CN3CCCCCCC3

InChI

InChI=1S/C17H24N4S2/c1-14-9-5-6-10-15(14)18-16-19-21(17(22)23-16)13-20-11-7-3-2-4-8-12-20/h5-6,9-10H,2-4,7-8,11-13H2,1H3,(H,18,19)