3-methyl-1,1-bis(oxidanylidene)-N-[(2-phenyl-1,2,3-triazol-4-yl)methyl]thiolan-3-amine

Systemtic Name: 3-methyl-1,1-bis(oxidanylidene)-N-[(2-phenyl-1,2,3-triazol-4-yl)methyl]thiolan-3-amine Openeye Name: 3-methyl-1,1-dioxo-N-[(2-phenyltriazol-4-yl)methyl]thiolan-3-amine CAS Name: 3-methyl-1,1-dioxo-N-[(2-phenyl-4-triazolyl)methyl]-3-thiolanamine IUPAC Name: 3-methyl-1,1-dioxo-N-[(2-phenyltriazol-4-yl)methyl]thiolan-3-amine Traditional Name: (1,1-diketo-3-methyl-thiolan-3-yl)-[(2-phenyltriazol-4-yl)methyl]amine Formula: C14H18N4O2S MolecularWeight: 306.38332

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCS(=O)(=O)C1)NCC2=NN(N=C2)C3=CC=CC=C3

Isomeric SMILES

CC1(CCS(=O)(=O)C1)NCC2=NN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C14H18N4O2S/c1-14(7-8-21(19,20)11-14)15-9-12-10-16-18(17-12)13-5-3-2-4-6-13/h2-6,10,15H,7-9,11H2,1H3