4-phenyl-2-[[prop-2-enyl(thiophen-2-ylmethyl)amino]methyl]-5-pyridin-3-yl-1,2,4-triazole-3-thione

Systemtic Name: 4-phenyl-2-[[prop-2-enyl(thiophen-2-ylmethyl)amino]methyl]-5-pyridin-3-yl-1,2,4-triazole-3-thione Openeye Name: 2-[[allyl(2-thienylmethyl)amino]methyl]-4-phenyl-5-(3-pyridyl)-1,2,4-triazole-3-thione CAS Name: 4-phenyl-2-[[prop-2-enyl(thiophen-2-ylmethyl)amino]methyl]-5-(3-pyridinyl)-1,2,4-triazole-3-thione IUPAC Name: 4-phenyl-2-[[prop-2-enyl(thiophen-2-ylmethyl)amino]methyl]-5-pyridin-3-yl-1,2,4-triazole-3-thione Traditional Name: 2-[[allyl(2-thenyl)amino]methyl]-4-phenyl-5-(3-pyridyl)-1,2,4-triazole-3-thione Formula: C22H21N5S2 MolecularWeight: 419.56564

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(CC1=CC=CS1)CN2C(=S)N(C(=N2)C3=CN=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C=CCN(CC1=CC=CS1)CN2C(=S)N(C(=N2)C3=CN=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H21N5S2/c1-2-13-25(16-20-11-7-14-29-20)17-26-22(28)27(19-9-4-3-5-10-19)21(24-26)18-8-6-12-23-15-18/h2-12,14-15H,1,13,16-17H2