N-(3,4-dimethylphenyl)-5-(pyridin-4-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine

Systemtic Name: N-(3,4-dimethylphenyl)-5-(pyridin-4-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine Openeye Name: N-(3,4-dimethylphenyl)-5-(4-pyridylmethylsulfanyl)-1,3,4-thiadiazol-2-amine CAS Name: N-(3,4-dimethylphenyl)-5-(pyridin-4-ylmethylthio)-1,3,4-thiadiazol-2-amine IUPAC Name: N-(3,4-dimethylphenyl)-5-(pyridin-4-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine Traditional Name: (3,4-dimethylphenyl)-[5-(4-pyridylmethylthio)-1,3,4-thiadiazol-2-yl]amine Formula: C16H16N4S2 MolecularWeight: 328.45504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NN=C(S2)SCC3=CC=NC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NN=C(S2)SCC3=CC=NC=C3)C

InChI

InChI=1S/C16H16N4S2/c1-11-3-4-14(9-12(11)2)18-15-19-20-16(22-15)21-10-13-5-7-17-8-6-13/h3-9H,10H2,1-2H3,(H,18,19)