4-(carbamothioylamino)-N-(2,3-dihydro-1H-inden-1-yl)benzonitrilium

Systemtic Name: 4-(carbamothioylamino)-N-(2,3-dihydro-1H-inden-1-yl)benzonitrilium Openeye Name: 4-(carbamothioylamino)-N-indan-1-yl-benzonitrilium CAS Name: 4-(carbamothioylamino)-N-(2,3-dihydro-1H-inden-1-yl)benzonitrilium IUPAC Name: 4-(carbamothioylamino)-N-(2,3-dihydro-1H-inden-1-yl)benzonitrilium Traditional Name: N-indan-1-yl-4-thioureido-benzonitrilium Formula: C17H16N3S+ MolecularWeight: 294.39404

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2C1[N+]#CC3=CC=C(C=C3)NC(=S)N

Isomeric SMILES

C1CC2=CC=CC=C2C1[N+]#CC3=CC=C(C=C3)NC(=S)N

InChI

InChI=1S/C17H15N3S/c18-17(21)20-14-8-5-12(6-9-14)11-19-16-10-7-13-3-1-2-4-15(13)16/h1-6,8-9,16H,7,10H2,(H2,18,21)/p+1