2-[2-azanyl-5-(diphenylmethyl)-1,3,4-thiadiazol-3-ium-3-yl]-1-thiophen-2-yl-ethanone

Systemtic Name: 2-[2-azanyl-5-(diphenylmethyl)-1,3,4-thiadiazol-3-ium-3-yl]-1-thiophen-2-yl-ethanone Openeye Name: 2-(2-amino-5-benzhydryl-1,3,4-thiadiazol-3-ium-3-yl)-1-(2-thienyl)ethanone CAS Name: 2-[2-amino-5-(diphenylmethyl)-1,3,4-thiadiazol-3-ium-3-yl]-1-thiophen-2-ylethanone IUPAC Name: 2-(2-amino-5-benzhydryl-1,3,4-thiadiazol-3-ium-3-yl)-1-thiophen-2-ylethanone Traditional Name: 2-(2-amino-5-benzhydryl-1,3,4-thiadiazol-3-ium-3-yl)-1-(2-thienyl)ethanone Formula: C21H18N3OS2+ MolecularWeight: 392.51712

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=N[N+](=C(S3)N)CC(=O)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=N[N+](=C(S3)N)CC(=O)C4=CC=CS4

InChI

InChI=1S/C21H17N3OS2/c22-21-24(14-17(25)18-12-7-13-26-18)23-20(27-21)19(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-13,19,22H,14H2/p+1