2-[[4-azanyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(azepan-1-yl)propan-1-one

Systemtic Name: 2-[[4-azanyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(azepan-1-yl)propan-1-one Openeye Name: 2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(azepan-1-yl)propan-1-one CAS Name: 2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-(1-azepanyl)-1-propanone IUPAC Name: 2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(azepan-1-yl)propan-1-one Traditional Name: 2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-(azepan-1-yl)propan-1-one Formula: C18H25N5O2S MolecularWeight: 375.4884

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)SC2=NN=C(N2N)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C(=O)N1CCCCCC1)SC2=NN=C(N2N)C3=CC=C(C=C3)OC

InChI

InChI=1S/C18H25N5O2S/c1-13(17(24)22-11-5-3-4-6-12-22)26-18-21-20-16(23(18)19)14-7-9-15(25-2)10-8-14/h7-10,13H,3-6,11-12,19H2,1-2H3