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

Systemtic Name: 4-[(Z)-[4-(azepan-1-yl)phenyl]methylideneamino]-3-tert-butyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(Z)-[4-(azepan-1-yl)phenyl]methyleneamino]-3-tert-butyl-1H-1,2,4-triazole-5-thione CAS Name: 4-[(Z)-[4-(1-azepanyl)phenyl]methylideneamino]-3-tert-butyl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(Z)-[4-(azepan-1-yl)phenyl]methylideneamino]-3-tert-butyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(Z)-[4-(azepan-1-yl)benzylidene]amino]-3-tert-butyl-1H-1,2,4-triazole-5-thione Formula: C19H27N5S MolecularWeight: 357.51618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NNC(=S)N1N=CC2=CC=C(C=C2)N3CCCCCC3

Isomeric SMILES

CC(C)(C)C1=NNC(=S)N1/N=C\C2=CC=C(C=C2)N3CCCCCC3

InChI

InChI=1S/C19H27N5S/c1-19(2,3)17-21-22-18(25)24(17)20-14-15-8-10-16(11-9-15)23-12-6-4-5-7-13-23/h8-11,14H,4-7,12-13H2,1-3H3,(H,22,25)/b20-14-