methyl 3-[4-(4-phenylphenyl)carbonyl-1,2,3-triazol-1-yl]thiophene-2-carboxylate

Systemtic Name: methyl 3-[4-(4-phenylphenyl)carbonyl-1,2,3-triazol-1-yl]thiophene-2-carboxylate Openeye Name: methyl 3-[4-(4-phenylbenzoyl)triazol-1-yl]thiophene-2-carboxylate CAS Name: 3-[4-[oxo-(4-phenylphenyl)methyl]-1-triazolyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[4-(4-phenylbenzoyl)triazol-1-yl]thiophene-2-carboxylate Traditional Name: 3-[4-(4-phenylbenzoyl)triazol-1-yl]thiophene-2-carboxylic acid methyl ester Formula: C21H15N3O3S MolecularWeight: 389.4271

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)N2C=C(N=N2)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(C=CS1)N2C=C(N=N2)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H15N3O3S/c1-27-21(26)20-18(11-12-28-20)24-13-17(22-23-24)19(25)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-13H,1H3