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

Systemtic Name: 5-[(3-chloranyl-4-methyl-phenyl)amino]-3-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-thiadiazole-2-thione Openeye Name: 5-(3-chloro-4-methyl-anilino)-3-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-thiadiazole-2-thione CAS Name: 5-(3-chloro-4-methylanilino)-3-(1-pyrrolidin-1-iumylmethyl)-1,3,4-thiadiazole-2-thione IUPAC Name: 5-(3-chloro-4-methylanilino)-3-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-thiadiazole-2-thione Traditional Name: 5-(3-chloro-4-methyl-anilino)-3-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-thiadiazole-2-thione Formula: C14H18ClN4S2+ MolecularWeight: 341.90252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NN(C(=S)S2)C[NH+]3CCCC3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NN(C(=S)S2)C[NH+]3CCCC3)Cl

InChI

InChI=1S/C14H17ClN4S2/c1-10-4-5-11(8-12(10)15)16-13-17-19(14(20)21-13)9-18-6-2-3-7-18/h4-5,8H,2-3,6-7,9H2,1H3,(H,16,17)/p+1