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

Systemtic Name: 2-[[(5-chloranylthiophen-2-yl)methyl-prop-2-enyl-amino]methyl]-4-(phenylmethyl)-5-pyridin-3-yl-1,2,4-triazole-3-thione Openeye Name: 2-[[allyl-[(5-chloro-2-thienyl)methyl]amino]methyl]-4-benzyl-5-(3-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[[(5-chloro-2-thiophenyl)methyl-prop-2-enylamino]methyl]-4-(phenylmethyl)-5-(3-pyridinyl)-1,2,4-triazole-3-thione IUPAC Name: 4-benzyl-2-[[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]methyl]-5-pyridin-3-yl-1,2,4-triazole-3-thione Traditional Name: 2-[[allyl-[(5-chloro-2-thienyl)methyl]amino]methyl]-4-benzyl-5-(3-pyridyl)-1,2,4-triazole-3-thione Formula: C23H22ClN5S2 MolecularWeight: 468.03728

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(CC1=CC=C(S1)Cl)CN2C(=S)N(C(=N2)C3=CN=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C=CCN(CC1=CC=C(S1)Cl)CN2C(=S)N(C(=N2)C3=CN=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C23H22ClN5S2/c1-2-13-27(16-20-10-11-21(24)31-20)17-29-23(30)28(15-18-7-4-3-5-8-18)22(26-29)19-9-6-12-25-14-19/h2-12,14H,1,13,15-17H2