N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-benzodioxol-5-ylcarbamoyl)acetamide CAS Name: N-[(1,3-benzodioxol-5-ylamino)-oxomethyl]-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)thio]-N-(1,3-benzodioxol-5-ylcarbamoyl)acetamide Formula: C16H17N5O4S MolecularWeight: 375.40228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC=C)SCC(=O)NC(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=NN=C(N1CC=C)SCC(=O)NC(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H17N5O4S/c1-3-6-21-10(2)19-20-16(21)26-8-14(22)18-15(23)17-11-4-5-12-13(7-11)25-9-24-12/h3-5,7H,1,6,8-9H2,2H3,(H2,17,18,22,23)