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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CCC1NC2=CC=C(C=C2)CN3C=NC=N3

Isomeric SMILES

C1CS(=O)(=O)CCC1NC2=CC=C(C=C2)CN3C=NC=N3

InChI

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