5-[(3-chloranyl-4-methyl-phenyl)amino]-3-[(4-ethylpiperazin-1-yl)methyl]-1,3,4-thiadiazole-2-thione

Systemtic Name: 5-[(3-chloranyl-4-methyl-phenyl)amino]-3-[(4-ethylpiperazin-1-yl)methyl]-1,3,4-thiadiazole-2-thione Openeye Name: 5-(3-chloro-4-methyl-anilino)-3-[(4-ethylpiperazin-1-yl)methyl]-1,3,4-thiadiazole-2-thione CAS Name: 5-(3-chloro-4-methylanilino)-3-[(4-ethyl-1-piperazinyl)methyl]-1,3,4-thiadiazole-2-thione IUPAC Name: 5-(3-chloro-4-methylanilino)-3-[(4-ethylpiperazin-1-yl)methyl]-1,3,4-thiadiazole-2-thione Traditional Name: 5-(3-chloro-4-methyl-anilino)-3-[(4-ethylpiperazino)methyl]-1,3,4-thiadiazole-2-thione Formula: C16H22ClN5S2 MolecularWeight: 383.96238

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CN2C(=S)SC(=N2)NC3=CC(=C(C=C3)C)Cl

Isomeric SMILES

CCN1CCN(CC1)CN2C(=S)SC(=N2)NC3=CC(=C(C=C3)C)Cl

InChI

InChI=1S/C16H22ClN5S2/c1-3-20-6-8-21(9-7-20)11-22-16(23)24-15(19-22)18-13-5-4-12(2)14(17)10-13/h4-5,10H,3,6-9,11H2,1-2H3,(H,18,19)