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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CCC1NCC2=NN(N=C2)C3=CC=CC=C3

Isomeric SMILES

C1CS(=O)(=O)CCC1NCC2=NN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C14H18N4O2S/c19-21(20)8-6-12(7-9-21)15-10-13-11-16-18(17-13)14-4-2-1-3-5-14/h1-5,11-12,15H,6-10H2