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

Systemtic Name: 2-[[(5-chloranylthiophen-2-yl)methyl-prop-2-enyl-amino]methyl]-5-(4-methoxyphenyl)-1H-1,2,4-triazole-3-thione Openeye Name: 2-[[allyl-[(5-chloro-2-thienyl)methyl]amino]methyl]-5-(4-methoxyphenyl)-1H-1,2,4-triazole-3-thione CAS Name: 2-[[(5-chloro-2-thiophenyl)methyl-prop-2-enylamino]methyl]-5-(4-methoxyphenyl)-1H-1,2,4-triazole-3-thione IUPAC Name: 2-[[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]methyl]-5-(4-methoxyphenyl)-1H-1,2,4-triazole-3-thione Traditional Name: 2-[[allyl-[(5-chloro-2-thienyl)methyl]amino]methyl]-5-(4-methoxyphenyl)-1H-1,2,4-triazole-3-thione Formula: C18H19ClN4OS2 MolecularWeight: 406.95266

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=S)N(N2)CN(CC=C)CC3=CC=C(S3)Cl

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=S)N(N2)CN(CC=C)CC3=CC=C(S3)Cl

InChI

InChI=1S/C18H19ClN4OS2/c1-3-10-22(11-15-8-9-16(19)26-15)12-23-18(25)20-17(21-23)13-4-6-14(24-2)7-5-13/h3-9H,1,10-12H2,2H3,(H,20,21,25)