4-[(Z)-[4-(azepan-1-yl)phenyl]methylideneamino]-3-ethyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-[(Z)-[4-(azepan-1-yl)phenyl]methylideneamino]-3-ethyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(Z)-[4-(azepan-1-yl)phenyl]methyleneamino]-3-ethyl-1H-1,2,4-triazole-5-thione CAS Name: 4-[(Z)-[4-(1-azepanyl)phenyl]methylideneamino]-3-ethyl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(Z)-[4-(azepan-1-yl)phenyl]methylideneamino]-3-ethyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(Z)-[4-(azepan-1-yl)benzylidene]amino]-3-ethyl-1H-1,2,4-triazole-5-thione Formula: C17H23N5S MolecularWeight: 329.46302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NNC(=S)N1N=CC2=CC=C(C=C2)N3CCCCCC3

Isomeric SMILES

CCC1=NNC(=S)N1/N=C\C2=CC=C(C=C2)N3CCCCCC3

InChI

InChI=1S/C17H23N5S/c1-2-16-19-20-17(23)22(16)18-13-14-7-9-15(10-8-14)21-11-5-3-4-6-12-21/h7-10,13H,2-6,11-12H2,1H3,(H,20,23)/b18-13-