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

Systemtic Name: 3-[[5-[(3-chloranyl-4-methyl-phenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]propanenitrile Openeye Name: 3-[[5-(3-chloro-4-methyl-anilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanenitrile CAS Name: 3-[[5-(3-chloro-4-methylanilino)-1,3,4-thiadiazol-2-yl]thio]propanenitrile IUPAC Name: 3-[[5-(3-chloro-4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanenitrile Traditional Name: 3-[[5-(3-chloro-4-methyl-anilino)-1,3,4-thiadiazol-2-yl]thio]propionitrile Formula: C12H11ClN4S2 MolecularWeight: 310.82554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11ClN4S2/c1-8-3-4-9(7-10(8)13)15-11-16-17-12(19-11)18-6-2-5-14/h3-4,7H,2,6H2,1H3,(H,15,16)