(3S)-3-[[4-azanyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one

Systemtic Name: (3S)-3-[[4-azanyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one Openeye Name: (3S)-3-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one CAS Name: (3S)-3-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]-2-azepanone IUPAC Name: (3S)-3-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one Traditional Name: (3S)-3-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]azepan-2-one Formula: C18H25N5OS MolecularWeight: 359.489

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2N)SC3CCCCNC3=O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2N)S[C@H]3CCCCNC3=O

InChI

InChI=1S/C18H25N5OS/c1-18(2,3)13-9-7-12(8-10-13)15-21-22-17(23(15)19)25-14-6-4-5-11-20-16(14)24/h7-10,14H,4-6,11,19H2,1-3H3,(H,20,24)/t14-/m0/s1