4-[[5-[(3-chloranyl-4-methyl-phenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]butanenitrile

Systemtic Name: 4-[[5-[(3-chloranyl-4-methyl-phenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]butanenitrile Openeye Name: 4-[[5-(3-chloro-4-methyl-anilino)-1,3,4-thiadiazol-2-yl]sulfanyl]butanenitrile CAS Name: 4-[[5-(3-chloro-4-methylanilino)-1,3,4-thiadiazol-2-yl]thio]butanenitrile IUPAC Name: 4-[[5-(3-chloro-4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]butanenitrile Traditional Name: 4-[[5-(3-chloro-4-methyl-anilino)-1,3,4-thiadiazol-2-yl]thio]butyronitrile Formula: C13H13ClN4S2 MolecularWeight: 324.85212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NN=C(S2)SCCCC#N)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NN=C(S2)SCCCC#N)Cl

InChI

InChI=1S/C13H13ClN4S2/c1-9-4-5-10(8-11(9)14)16-12-17-18-13(20-12)19-7-3-2-6-15/h4-5,8H,2-3,7H2,1H3,(H,16,17)