5-[(4-phenoxyphenyl)amino]-3-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-thiadiazole-2-thione

Systemtic Name: 5-[(4-phenoxyphenyl)amino]-3-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-thiadiazole-2-thione Openeye Name: 5-(4-phenoxyanilino)-3-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-thiadiazole-2-thione CAS Name: 5-(4-phenoxyanilino)-3-(1-pyrrolidin-1-iumylmethyl)-1,3,4-thiadiazole-2-thione IUPAC Name: 5-(4-phenoxyanilino)-3-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-thiadiazole-2-thione Traditional Name: 5-(4-phenoxyanilino)-3-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-thiadiazole-2-thione Formula: C19H21N4OS2+ MolecularWeight: 385.52624

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CN2C(=S)SC(=N2)NC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](C1)CN2C(=S)SC(=N2)NC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C19H20N4OS2/c25-19-23(14-22-12-4-5-13-22)21-18(26-19)20-15-8-10-17(11-9-15)24-16-6-2-1-3-7-16/h1-3,6-11H,4-5,12-14H2,(H,20,21)/p+1