5-(3-chloranyl-4-methoxy-phenyl)-3-[3-(pyrrol-1-ylmethyl)phenyl]-1H-1,2,4-triazole

Systemtic Name: 5-(3-chloranyl-4-methoxy-phenyl)-3-[3-(pyrrol-1-ylmethyl)phenyl]-1H-1,2,4-triazole Openeye Name: 5-(3-chloro-4-methoxy-phenyl)-3-[3-(pyrrol-1-ylmethyl)phenyl]-1H-1,2,4-triazole CAS Name: 5-(3-chloro-4-methoxyphenyl)-3-[3-(1-pyrrolylmethyl)phenyl]-1H-1,2,4-triazole IUPAC Name: 5-(3-chloro-4-methoxyphenyl)-3-[3-(pyrrol-1-ylmethyl)phenyl]-1H-1,2,4-triazole Traditional Name: 5-(3-chloro-4-methoxy-phenyl)-3-[3-(pyrrol-1-ylmethyl)phenyl]-1H-1,2,4-triazole Formula: C20H17ClN4O MolecularWeight: 364.82818

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=NN2)C3=CC(=CC=C3)CN4C=CC=C4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=NN2)C3=CC(=CC=C3)CN4C=CC=C4)Cl

InChI

InChI=1S/C20H17ClN4O/c1-26-18-8-7-16(12-17(18)21)20-22-19(23-24-20)15-6-4-5-14(11-15)13-25-9-2-3-10-25/h2-12H,13H2,1H3,(H,22,23,24)