N-[3-methyl-1,1-bis(oxidanylidene)thiolan-3-yl]-1-(phenylmethyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: N-[3-methyl-1,1-bis(oxidanylidene)thiolan-3-yl]-1-(phenylmethyl)-1,2,3-triazole-4-carboxamide Openeye Name: 1-benzyl-N-(3-methyl-1,1-dioxo-thiolan-3-yl)triazole-4-carboxamide CAS Name: N-(3-methyl-1,1-dioxo-3-thiolanyl)-1-(phenylmethyl)-4-triazolecarboxamide IUPAC Name: 1-benzyl-N-(3-methyl-1,1-dioxothiolan-3-yl)triazole-4-carboxamide Traditional Name: 1-benzyl-N-(1,1-diketo-3-methyl-thiolan-3-yl)triazole-4-carboxamide Formula: C15H18N4O3S MolecularWeight: 334.39342

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCS(=O)(=O)C1)NC(=O)C2=CN(N=N2)CC3=CC=CC=C3

Isomeric SMILES

CC1(CCS(=O)(=O)C1)NC(=O)C2=CN(N=N2)CC3=CC=CC=C3

InChI

InChI=1S/C15H18N4O3S/c1-15(7-8-23(21,22)11-15)16-14(20)13-10-19(18-17-13)9-12-5-3-2-4-6-12/h2-6,10H,7-9,11H2,1H3,(H,16,20)