2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-methoxyphenyl)carbamoyl]ethanamide

Systemtic Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-methoxyphenyl)carbamoyl]ethanamide Openeye Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-methoxyphenyl)carbamoyl]acetamide CAS Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-N-[(4-methoxyanilino)-oxomethyl]acetamide IUPAC Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-methoxyphenyl)carbamoyl]acetamide Traditional Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-N-[(4-methoxyphenyl)carbamoyl]acetamide Formula: C21H21N5O3S MolecularWeight: 423.48814

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4CC4

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4CC4

InChI

InChI=1S/C21H21N5O3S/c1-29-17-11-9-15(10-12-17)22-20(28)23-18(27)13-30-21-25-24-19(14-7-8-14)26(21)16-5-3-2-4-6-16/h2-6,9-12,14H,7-8,13H2,1H3,(H2,22,23,27,28)