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

Systemtic Name: N-(3-methylbutylcarbamoyl)-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-(isopentylcarbamoyl)acetamide CAS Name: N-[(3-methylbutylamino)-oxomethyl]-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(3-methylbutylcarbamoyl)-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-(isoamylcarbamoyl)acetamide Formula: C19H25N5O2S MolecularWeight: 387.4991

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)NC(=O)CSC1=NN=C(N1CC=C)C2=CC=CC=C2

Isomeric SMILES

CC(C)CCNC(=O)NC(=O)CSC1=NN=C(N1CC=C)C2=CC=CC=C2

InChI

InChI=1S/C19H25N5O2S/c1-4-12-24-17(15-8-6-5-7-9-15)22-23-19(24)27-13-16(25)21-18(26)20-11-10-14(2)3/h4-9,14H,1,10-13H2,2-3H3,(H2,20,21,25,26)