2-[[(5-chloranylthiophen-2-yl)methyl-ethyl-amino]methyl]-5-methyl-4-(phenylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 2-[[(5-chloranylthiophen-2-yl)methyl-ethyl-amino]methyl]-5-methyl-4-(phenylmethyl)-1,2,4-triazole-3-thione Openeye Name: 4-benzyl-2-[[(5-chloro-2-thienyl)methyl-ethyl-amino]methyl]-5-methyl-1,2,4-triazole-3-thione CAS Name: 2-[[(5-chloro-2-thiophenyl)methyl-ethylamino]methyl]-5-methyl-4-(phenylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 4-benzyl-2-[[(5-chlorothiophen-2-yl)methyl-ethylamino]methyl]-5-methyl-1,2,4-triazole-3-thione Traditional Name: 4-benzyl-2-[[(5-chloro-2-thienyl)methyl-ethyl-amino]methyl]-5-methyl-1,2,4-triazole-3-thione Formula: C18H21ClN4S2 MolecularWeight: 392.96914

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=C(S1)Cl)CN2C(=S)N(C(=N2)C)CC3=CC=CC=C3

Isomeric SMILES

CCN(CC1=CC=C(S1)Cl)CN2C(=S)N(C(=N2)C)CC3=CC=CC=C3

InChI

InChI=1S/C18H21ClN4S2/c1-3-21(12-16-9-10-17(19)25-16)13-23-18(24)22(14(2)20-23)11-15-7-5-4-6-8-15/h4-10H,3,11-13H2,1-2H3