4-[[5-(3-chloranyl-4-methoxy-phenyl)furan-2-yl]methylamino]-3-phenyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-[[5-(3-chloranyl-4-methoxy-phenyl)furan-2-yl]methylamino]-3-phenyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[[5-(3-chloro-4-methoxy-phenyl)-2-furyl]methylamino]-3-phenyl-1H-1,2,4-triazole-5-thione CAS Name: 4-[[5-(3-chloro-4-methoxyphenyl)-2-furanyl]methylamino]-3-phenyl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylamino]-3-phenyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-[[5-(3-chloro-4-methoxy-phenyl)-2-furyl]methylamino]-3-phenyl-1H-1,2,4-triazole-5-thione Formula: C20H17ClN4O2S MolecularWeight: 412.89258

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC=C(O2)CNN3C(=NNC3=S)C4=CC=CC=C4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC=C(O2)CNN3C(=NNC3=S)C4=CC=CC=C4)Cl

InChI

InChI=1S/C20H17ClN4O2S/c1-26-18-9-7-14(11-16(18)21)17-10-8-15(27-17)12-22-25-19(23-24-20(25)28)13-5-3-2-4-6-13/h2-11,22H,12H2,1H3,(H,24,28)