5-(phenylmethylsulfanyl)-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,3,4-thiadiazol-2-amine

Systemtic Name: 5-(phenylmethylsulfanyl)-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,3,4-thiadiazol-2-amine Openeye Name: 5-benzylsulfanyl-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,3,4-thiadiazol-2-amine CAS Name: 5-(phenylmethylthio)-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,3,4-thiadiazol-2-amine IUPAC Name: 5-benzylsulfanyl-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,3,4-thiadiazol-2-amine Traditional Name: [5-(benzylthio)-1,3,4-thiadiazol-2-yl]-(3,4,5,6-tetrahydro-2H-azepin-7-yl)amine Formula: C15H18N4S2 MolecularWeight: 318.46022

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NCC1)NC2=NN=C(S2)SCC3=CC=CC=C3

Isomeric SMILES

C1CCC(=NCC1)NC2=NN=C(S2)SCC3=CC=CC=C3

InChI

InChI=1S/C15H18N4S2/c1-3-7-12(8-4-1)11-20-15-19-18-14(21-15)17-13-9-5-2-6-10-16-13/h1,3-4,7-8H,2,5-6,9-11H2,(H,16,17,18)