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

Systemtic Name: N-[(4-methoxyphenyl)carbamoyl]-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-methoxyphenyl)carbamoyl]acetamide CAS Name: N-[(4-methoxyanilino)-oxomethyl]-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[(4-methoxyphenyl)carbamoyl]-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(4-allyl-5-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(N2CC=C)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=CC=C3

InChI

InChI=1S/C21H21N5O3S/c1-3-13-26-19(15-7-5-4-6-8-15)24-25-21(26)30-14-18(27)23-20(28)22-16-9-11-17(29-2)12-10-16/h3-12H,1,13-14H2,2H3,(H2,22,23,27,28)