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

Systemtic Name: 4-[[5-[(phenylmethyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]butanenitrile Openeye Name: 4-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butanenitrile CAS Name: 4-[[5-[(phenylmethyl)amino]-1,3,4-thiadiazol-2-yl]thio]butanenitrile IUPAC Name: 4-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butanenitrile Traditional Name: 4-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]thio]butyronitrile Formula: C13H14N4S2 MolecularWeight: 290.40706

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NN=C(S2)SCCCC#N

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NN=C(S2)SCCCC#N

InChI

InChI=1S/C13H14N4S2/c14-8-4-5-9-18-13-17-16-12(19-13)15-10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,9-10H2,(H,15,16)