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

Systemtic Name: 2-[[(5-chloranylthiophen-2-yl)methyl-methyl-amino]methyl]-5-methyl-4-(phenylmethyl)-1,2,4-triazole-3-thione Openeye Name: 4-benzyl-2-[[(5-chloro-2-thienyl)methyl-methyl-amino]methyl]-5-methyl-1,2,4-triazole-3-thione CAS Name: 2-[[(5-chloro-2-thiophenyl)methyl-methylamino]methyl]-5-methyl-4-(phenylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 4-benzyl-2-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-methyl-1,2,4-triazole-3-thione Traditional Name: 4-benzyl-2-[[(5-chloro-2-thienyl)methyl-methyl-amino]methyl]-5-methyl-1,2,4-triazole-3-thione Formula: C17H19ClN4S2 MolecularWeight: 378.94256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=S)N1CC2=CC=CC=C2)CN(C)CC3=CC=C(S3)Cl

Isomeric SMILES

CC1=NN(C(=S)N1CC2=CC=CC=C2)CN(C)CC3=CC=C(S3)Cl

InChI

InChI=1S/C17H19ClN4S2/c1-13-19-22(12-20(2)11-15-8-9-16(18)24-15)17(23)21(13)10-14-6-4-3-5-7-14/h3-9H,10-12H2,1-2H3